N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide

C20H26N4O3 — CID 127642059

IUPACN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2ccc(C(=O)NC3CCN(C(=O)C4CCCCC4)C3)cc21
InChIInChI=1S/C20H26N4O3/c1-23-17-11-14(7-8-16(17)22-20(23)27)18(25)21-15-9-10-24(12-15)19(26)13-5-3-2-4-6-13/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H,21,25)(H,22,27)
InChIKeyYAMUPCPPHKTVHP-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.78
Rot. Bonds3

About N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 127642059) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID127642059
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2ccc(C(=O)NC3CCN(C(=O)C4CCCCC4)C3)cc21
InChIInChI=1S/C20H26N4O3/c1-23-17-11-14(7-8-16(17)22-20(23)27)18(25)21-15-9-10-24(12-15)19(26)13-5-3-2-4-6-13/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H,21,25)(H,22,27)
InChIKeyYAMUPCPPHKTVHP-UHFFFAOYSA-N
XLogP1.78
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046202
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5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119163910
3,4-dichloro-N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 110866994
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CID 71917502
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 120550990
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
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N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 53016414
N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066371
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71918106
3-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]-5-nitrobenzoic acid
CID 120550986
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide (CID 127642059) is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide is Cn1c(=O)[nH]c2ccc(C(=O)NC3CCN(C(=O)C4CCCCC4)C3)cc21.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is YAMUPCPPHKTVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23-17-11-14(7-8-16(17)22-20(23)27)18(25)21-15-9-10-24(12-15)19(26)13-5-3-2-4-6-13/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H,21,25)(H,22,27).
What are the key properties of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide?
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 127642059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).