N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide

C27H34N4O — CID 25120609

IUPACN-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCCCC3)C2)cc1
InChIInChI=1S/C27H34N4O/c1-20-28-25-11-7-8-12-26(25)31(20)23-15-13-21(14-16-23)27(32)29(2)24-17-18-30(19-24)22-9-5-3-4-6-10-22/h7-8,11-16,22,24H,3-6,9-10,17-19H2,1-2H3/t24-/m1/s1
InChIKeyJTSPMARFSWFYCR-XMMPIXPASA-N
MW430.60 g/mol
LogP5.20
Rot. Bonds4

About N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide

N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide (PubChem CID 25120609) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
PubChem CID25120609
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC NameN-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCCCC3)C2)cc1
InChIInChI=1S/C27H34N4O/c1-20-28-25-11-7-8-12-26(25)31(20)23-15-13-21(14-16-23)27(32)29(2)24-17-18-30(19-24)22-9-5-3-4-6-10-22/h7-8,11-16,22,24H,3-6,9-10,17-19H2,1-2H3/t24-/m1/s1
InChIKeyJTSPMARFSWFYCR-XMMPIXPASA-N
XLogP5.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 69248116
N-(1-cyclopentylpiperidin-4-yl)-N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 68761815
N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide
CID 68736309
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 56682300
4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide
CID 12883727
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 69251373
N-(1-cyclopentylpiperidin-4-yl)-4-indazol-1-yl-N-methylbenzamide
CID 25121656
N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 68761872
4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide
CID 68763667
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
CID 25119560
N-(1-cyclobutylpiperidin-4-yl)-4-indazol-2-yl-N-methylbenzamide
CID 25121654

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
The IUPAC name of N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide (CID 25120609) is N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide.
What is the SMILES notation for N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
The canonical SMILES for N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide is Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCCCCC3)C2)cc1.
What is the InChIKey of N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
The InChIKey is JTSPMARFSWFYCR-XMMPIXPASA-N. The full InChI is InChI=1S/C27H34N4O/c1-20-28-25-11-7-8-12-26(25)31(20)23-15-13-21(14-16-23)27(32)29(2)24-17-18-30(19-24)22-9-5-3-4-6-10-22/h7-8,11-16,22,24H,3-6,9-10,17-19H2,1-2H3/t24-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide?
N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide has a molecular weight of 430.60 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide is sourced from PubChem (CID 25120609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).