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

C25H30N4O — CID 68736309

IUPACN-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C25H30N4O/c1-18-26-23-9-5-6-10-24(23)29(18)22-13-11-19(12-14-22)25(30)27-20-15-16-28(17-20)21-7-3-2-4-8-21/h5-6,9-14,20-21H,2-4,7-8,15-17H2,1H3,(H,27,30)/t20-/m1/s1
InChIKeyJZBDKVYUYLPJGT-HXUWFJFHSA-N
MW402.54 g/mol
LogP4.47
Rot. Bonds4

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

N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide (PubChem CID 68736309) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide
PubChem CID68736309
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C25H30N4O/c1-18-26-23-9-5-6-10-24(23)29(18)22-13-11-19(12-14-22)25(30)27-20-15-16-28(17-20)21-7-3-2-4-8-21/h5-6,9-14,20-21H,2-4,7-8,15-17H2,1H3,(H,27,30)/t20-/m1/s1
InChIKeyJZBDKVYUYLPJGT-HXUWFJFHSA-N
XLogP4.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide?
The IUPAC name of N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide (CID 68736309) is N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide.
What is the SMILES notation for N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide?
The canonical SMILES for N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide is Cc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1.
What is the InChIKey of N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide?
The InChIKey is JZBDKVYUYLPJGT-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O/c1-18-26-23-9-5-6-10-24(23)29(18)22-13-11-19(12-14-22)25(30)27-20-15-16-28(17-20)21-7-3-2-4-8-21/h5-6,9-14,20-21H,2-4,7-8,15-17H2,1H3,(H,27,30)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide?
N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide has a molecular weight of 402.54 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide is sourced from PubChem (CID 68736309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).