4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide

C25H25ClN6O3 — CID 151708492

IUPAC4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(n3c(=O)[nH]c4c(-c5cncc(N)c5)cccc43)CC2)ccc1Cl
InChIInChI=1S/C25H25ClN6O3/c1-35-22-12-17(5-6-20(22)26)29-24(33)31-9-7-18(8-10-31)32-21-4-2-3-19(23(21)30-25(32)34)15-11-16(27)14-28-13-15/h2-6,11-14,18H,7-10,27H2,1H3,(H,29,33)(H,30,34)
InChIKeyRGBLQGPBPPBLKL-UHFFFAOYSA-N
MW492.97 g/mol
LogP4.50
Rot. Bonds4

About 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide

4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 151708492) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID151708492
Molecular FormulaC25H25ClN6O3
Molecular Weight492.97 g/mol
Exact Mass492.17
IUPAC Name4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(n3c(=O)[nH]c4c(-c5cncc(N)c5)cccc43)CC2)ccc1Cl
InChIInChI=1S/C25H25ClN6O3/c1-35-22-12-17(5-6-20(22)26)29-24(33)31-9-7-18(8-10-31)32-21-4-2-3-19(23(21)30-25(32)34)15-11-16(27)14-28-13-15/h2-6,11-14,18H,7-10,27H2,1H3,(H,29,33)(H,30,34)
InChIKeyRGBLQGPBPPBLKL-UHFFFAOYSA-N
XLogP4.50
TPSA118.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[1-[(3,4-dichlorophenyl)carbamoyl]piperidin-4-yl]-2-oxo-3H-benzimidazol-4-yl]benzoic acid
CID 150386876
N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide
CID 147754001
4-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)-2-oxo-3H-benzimidazol-1-yl]-N-(3-chloro-4-methoxyphenyl)piperidine-1-carboxamide
CID 171902429
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
N-(2,5-dimethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 23878679
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 122148707
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide
CID 151686592
N-(1H-indol-6-yl)-4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxamide
CID 155466242
4-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-oxo-3H-benzimidazol-1-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 155679470
N-(4-acetylphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 24735688
N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 151661173

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide (CID 151708492) is 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(n3c(=O)[nH]c4c(-c5cncc(N)c5)cccc43)CC2)ccc1Cl.
What is the InChIKey of 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is RGBLQGPBPPBLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c1-35-22-12-17(5-6-20(22)26)29-24(33)31-9-7-18(8-10-31)32-21-4-2-3-19(23(21)30-25(32)34)15-11-16(27)14-28-13-15/h2-6,11-14,18H,7-10,27H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide?
4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 492.97 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 151708492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).