(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C21H28N4O — CID 56912067

IUPAC(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cccc2[nH]c(CCNC(=O)C3[C@H]4CN(C5CCCC5)C[C@@H]34)nc12
InChIInChI=1S/C21H28N4O/c1-13-5-4-8-17-20(13)24-18(23-17)9-10-22-21(26)19-15-11-25(12-16(15)19)14-6-2-3-7-14/h4-5,8,14-16,19H,2-3,6-7,9-12H2,1H3,(H,22,26)(H,23,24)/t15-,16+,19?
InChIKeyZKTFTQOGEQLXGS-MCPYQZEQSA-N
MW352.48 g/mol
LogP2.65
Rot. Bonds5

About (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 56912067) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID56912067
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cccc2[nH]c(CCNC(=O)C3[C@H]4CN(C5CCCC5)C[C@@H]34)nc12
InChIInChI=1S/C21H28N4O/c1-13-5-4-8-17-20(13)24-18(23-17)9-10-22-21(26)19-15-11-25(12-16(15)19)14-6-2-3-7-14/h4-5,8,14-16,19H,2-3,6-7,9-12H2,1H3,(H,22,26)(H,23,24)/t15-,16+,19?
InChIKeyZKTFTQOGEQLXGS-MCPYQZEQSA-N
XLogP2.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 56912067) is (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is Cc1cccc2[nH]c(CCNC(=O)C3[C@H]4CN(C5CCCC5)C[C@@H]34)nc12.
What is the InChIKey of (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is ZKTFTQOGEQLXGS-MCPYQZEQSA-N. The full InChI is InChI=1S/C21H28N4O/c1-13-5-4-8-17-20(13)24-18(23-17)9-10-22-21(26)19-15-11-25(12-16(15)19)14-6-2-3-7-14/h4-5,8,14-16,19H,2-3,6-7,9-12H2,1H3,(H,22,26)(H,23,24)/t15-,16+,19?.
What are the key properties of (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 56912067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).