N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

C21H28N4O2 — CID 71893595

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c26-20(22-13-12-19-23-16-9-4-5-10-17(16)24-19)18-11-6-14-25(18)21(27)15-7-2-1-3-8-15/h4-5,9-10,15,18H,1-3,6-8,11-14H2,(H,22,26)(H,23,24)
InChIKeyBNFSJTIABSBDEY-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (PubChem CID 71893595) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
PubChem CID71893595
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c26-20(22-13-12-19-23-16-9-4-5-10-17(16)24-19)18-11-6-14-25(18)21(27)15-7-2-1-3-8-15/h4-5,9-10,15,18H,1-3,6-8,11-14H2,(H,22,26)(H,23,24)
InChIKeyBNFSJTIABSBDEY-UHFFFAOYSA-N
XLogP2.79
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973881
(2S,4S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(cyclopentanecarbonylamino)-1-methylpyrrolidine-2-carboxamide
CID 56720580
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
N-[2-(1H-benzimidazol-2-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79671903
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119835113
1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 118776913
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 15950215
1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 166197517
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
1-(adamantane-1-carbonyl)-N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 112791080
(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 86800699

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide (CID 71893595) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
The InChIKey is BNFSJTIABSBDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(22-13-12-19-23-16-9-4-5-10-17(16)24-19)18-11-6-14-25(18)21(27)15-7-2-1-3-8-15/h4-5,9-10,15,18H,1-3,6-8,11-14H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71893595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).