[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone

C19H17Cl2N3O — CID 25197901

IUPAC[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C19H17Cl2N3O/c20-14-10-16-17(11-15(14)21)23-18(22-16)12-4-6-13(7-5-12)19(25)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,22,23)
InChIKeyHTQIKQKNAQWVRE-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.16
Rot. Bonds2

About [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone

[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone (PubChem CID 25197901) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone
PubChem CID25197901
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C19H17Cl2N3O/c20-14-10-16-17(11-15(14)21)23-18(22-16)12-4-6-13(7-5-12)19(25)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,22,23)
InChIKeyHTQIKQKNAQWVRE-UHFFFAOYSA-N
XLogP5.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580536
(4-benzhydrylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580549
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
2-chloro-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228855
5-chloro-6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 130264624
2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one
CID 143435170
2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 66965647
2-chloro-4-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228856
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 141349864

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone (CID 25197901) is [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1)N1CCCCC1.
What is the InChIKey of [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is HTQIKQKNAQWVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c20-14-10-16-17(11-15(14)21)23-18(22-16)12-4-6-13(7-5-12)19(25)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,22,23).
What are the key properties of [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone?
[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 374.27 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25197901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).