4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide

C20H21ClN4O2 — CID 43815842

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1
InChIInChI=1S/C20H21ClN4O2/c1-27-16-4-2-3-15(12-16)22-20(26)25-9-7-13(8-10-25)19-23-17-6-5-14(21)11-18(17)24-19/h2-6,11-13H,7-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyNZFZIJKDADINGO-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.64
Rot. Bonds3

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 43815842) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID43815842
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1
InChIInChI=1S/C20H21ClN4O2/c1-27-16-4-2-3-15(12-16)22-20(26)25-9-7-13(8-10-25)19-23-17-6-5-14(21)11-18(17)24-19/h2-6,11-13H,7-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyNZFZIJKDADINGO-UHFFFAOYSA-N
XLogP4.64
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 1429783
4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 1429871
3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815
4-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide
CID 1430350
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429729
4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 1429886
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43815822
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
4-(2,5-dichlorophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113603
(2S)-2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 1453129

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 43815842) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is NZFZIJKDADINGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-27-16-4-2-3-15(12-16)22-20(26)25-9-7-13(8-10-25)19-23-17-6-5-14(21)11-18(17)24-19/h2-6,11-13H,7-10H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 43815842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).