4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole

C63H42Cl4F5N15O2 — CID 160674624

IUPAC4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
SMILESCc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Clc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Fc1cc2[nH]c(-c3ccccn3)nc2c(F)c1F.OCc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F.OCc1cc2[nH]c(-c3ccccn3)nc2cc1Cl
InChIInChI=1S/C13H10ClN3O.C13H10ClN3.C13H9F2N3O.C12H7Cl2N3.C12H6F3N3/c14-9-6-12-11(5-8(9)7-18)16-13(17-12)10-3-1-2-4-15-10;1-8-6-9(14)12-11(7-8)16-13(17-12)10-4-2-3-5-15-10;14-8-5-10-12(11(15)7(8)6-19)18-13(17-10)9-3-1-2-4-16-9;13-7-5-8(14)11-10(6-7)16-12(17-11)9-3-1-2-4-15-9;13-6-5-8-11(10(15)9(6)14)18-12(17-8)7-3-1-2-4-16-7/h1-6,18H,7H2,(H,16,17);2-7H,1H3,(H,16,17);1-5,19H,6H2,(H,17,18);1-6H,(H,16,17);1-5H,(H,17,18)
InChIKeyRNJKRHHNGKUQSN-UHFFFAOYSA-N
MW1277.93 g/mol
LogP15.73
Rot. Bonds7

About 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole

4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 160674624) has the molecular formula C63H42Cl4F5N15O2 and a molecular weight of 1277.93 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
PubChem CID160674624
Molecular FormulaC63H42Cl4F5N15O2
Molecular Weight1277.93 g/mol
Exact Mass1275.23
IUPAC Name4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
SMILESCc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Clc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Fc1cc2[nH]c(-c3ccccn3)nc2c(F)c1F.OCc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F.OCc1cc2[nH]c(-c3ccccn3)nc2cc1Cl
InChIInChI=1S/C13H10ClN3O.C13H10ClN3.C13H9F2N3O.C12H7Cl2N3.C12H6F3N3/c14-9-6-12-11(5-8(9)7-18)16-13(17-12)10-3-1-2-4-15-10;1-8-6-9(14)12-11(7-8)16-13(17-12)10-4-2-3-5-15-10;14-8-5-10-12(11(15)7(8)6-19)18-13(17-10)9-3-1-2-4-16-9;13-7-5-8(14)11-10(6-7)16-12(17-11)9-3-1-2-4-15-9;13-6-5-8-11(10(15)9(6)14)18-12(17-8)7-3-1-2-4-16-7/h1-6,18H,7H2,(H,16,17);2-7H,1H3,(H,16,17);1-5,19H,6H2,(H,17,18);1-6H,(H,16,17);1-5H,(H,17,18)
InChIKeyRNJKRHHNGKUQSN-UHFFFAOYSA-N
XLogP15.73
TPSA248.31 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001277.93
LogP ≤ 515.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole with MolForge

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Related Compounds

4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
CID 157112593
4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 160918187
(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 162161681
4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;6-methyl-2-pyridin-2-yl-5-pyrrolidin-1-yl-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)formamide;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 157827882
6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5-dimethyl-2-pyridin-2-yl-1H-benzimidazole;5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole;6-fluoro-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
CID 158914716
6-chloro-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;5,6-difluoro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;6-methyl-2-pyridin-2-yl-1H-benzimidazole;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole
CID 159185269
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide;4-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoro-N-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 160503622

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole (CID 160674624) is 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole is Cc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Clc1cc(Cl)c2nc(-c3ccccn3)[nH]c2c1.Fc1cc2[nH]c(-c3ccccn3)nc2c(F)c1F.OCc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F.OCc1cc2[nH]c(-c3ccccn3)nc2cc1Cl.
What is the InChIKey of 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is RNJKRHHNGKUQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O.C13H10ClN3.C13H9F2N3O.C12H7Cl2N3.C12H6F3N3/c14-9-6-12-11(5-8(9)7-18)16-13(17-12)10-3-1-2-4-15-10;1-8-6-9(14)12-11(7-8)16-13(17-12)10-4-2-3-5-15-10;14-8-5-10-12(11(15)7(8)6-19)18-13(17-10)9-3-1-2-4-16-9;13-7-5-8(14)11-10(6-7)16-12(17-11)9-3-1-2-4-15-9;13-6-5-8-11(10(15)9(6)14)18-12(17-8)7-3-1-2-4-16-7/h1-6,18H,7H2,(H,16,17);2-7H,1H3,(H,16,17);1-5,19H,6H2,(H,17,18);1-6H,(H,16,17);1-5H,(H,17,18).
What are the key properties of 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole?
4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 1277.93 g/mol, XLogP of 15.73, 7 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-pyridin-2-yl-1H-benzimidazole;(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;(4,6-difluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)methanol;4,5,6-trifluoro-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 160674624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).