(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine

C19H17ClFN5 — CID 58164095

IUPAC(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine
SMILESCCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21
InChIInChI=1S/C19H17ClFN5/c1-2-26-17-7-14(12-9-23-24-10-12)15(21)8-16(17)25-19(26)18(22)11-3-5-13(20)6-4-11/h3-10,18H,2,22H2,1H3,(H,23,24)
InChIKeyORVQHHHEQPNAHP-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.29
Rot. Bonds4

About (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine

(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine (PubChem CID 58164095) has the molecular formula C19H17ClFN5 and a molecular weight of 369.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine
PubChem CID58164095
Molecular FormulaC19H17ClFN5
Molecular Weight369.83 g/mol
Exact Mass369.12
IUPAC Name(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine
SMILESCCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21
InChIInChI=1S/C19H17ClFN5/c1-2-26-17-7-14(12-9-23-24-10-12)15(21)8-16(17)25-19(26)18(22)11-3-5-13(20)6-4-11/h3-10,18H,2,22H2,1H3,(H,23,24)
InChIKeyORVQHHHEQPNAHP-UHFFFAOYSA-N
XLogP4.29
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814236
(2E)-3-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 5292247
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4886402
3-[Bis-(4-chloro-phenyl)-imidazol-1-yl-methyl]-1H-pyrazole
CID 13669912
4-[Bis-(4-chloro-phenyl)-imidazol-1-yl-methyl]-1H-pyrazole
CID 20145385
2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl)-N,N-dimethylethanamine
CID 25165279
4-[6-(2-chloro-4-pyridinyl)-2-methyl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]-5,8-difluoroquinoline
CID 134372827
7-(3,4-Dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843728
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843751
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843801
7-(3,4-dichlorophenyl)-5-methyl-6-(4-methyl-1H-benzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843887
6-(4-chlorophenyl)-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
CID 135876029

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine?
The IUPAC name of (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine (CID 58164095) is (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine.
What is the SMILES notation for (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine?
The canonical SMILES for (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine is CCn1c(C(N)c2ccc(Cl)cc2)nc2cc(F)c(-c3cn[nH]c3)cc21.
What is the InChIKey of (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine?
The InChIKey is ORVQHHHEQPNAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5/c1-2-26-17-7-14(12-9-23-24-10-12)15(21)8-16(17)25-19(26)18(22)11-3-5-13(20)6-4-11/h3-10,18H,2,22H2,1H3,(H,23,24).
What are the key properties of (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine?
(4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine has a molecular weight of 369.83 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-ethyl-5-fluoro-6-(1H-pyrazol-4-yl)benzimidazol-2-yl]methanamine is sourced from PubChem (CID 58164095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).