N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide

C20H29N5O — CID 128823439

IUPACN-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1nc2ccccc2n1CC1CCCN1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C20H29N5O/c1-14-22-18-6-2-3-7-19(18)25(14)13-17-5-4-12-24(17)20(26)23-16-10-8-15(21)9-11-16/h2-3,6-7,15-17H,4-5,8-13,21H2,1H3,(H,23,26)
InChIKeyMEOZNZLYNWSNTG-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.79
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide

N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 128823439) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID128823439
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1nc2ccccc2n1CC1CCCN1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C20H29N5O/c1-14-22-18-6-2-3-7-19(18)25(14)13-17-5-4-12-24(17)20(26)23-16-10-8-15(21)9-11-16/h2-3,6-7,15-17H,4-5,8-13,21H2,1H3,(H,23,26)
InChIKeyMEOZNZLYNWSNTG-UHFFFAOYSA-N
XLogP2.79
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (CID 128823439) is N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is Cc1nc2ccccc2n1CC1CCCN1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is MEOZNZLYNWSNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14-22-18-6-2-3-7-19(18)25(14)13-17-5-4-12-24(17)20(26)23-16-10-8-15(21)9-11-16/h2-3,6-7,15-17H,4-5,8-13,21H2,1H3,(H,23,26).
What are the key properties of N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 128823439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).