3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide

C30H30N4O2 — CID 74767926

IUPAC3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(CC3CCN(C(=O)C4CC4)C3)c2c1
InChIInChI=1S/C30H30N4O2/c1-31-29(35)25-13-14-26-27(17-25)34(19-20-15-16-33(18-20)30(36)24-11-12-24)28(32-26)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-10,13-14,17,20,24H,11-12,15-16,18-19H2,1H3,(H,31,35)
InChIKeyUHNMNNZSNGPATC-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.99
Rot. Bonds6

About 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide

3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide (PubChem CID 74767926) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide
PubChem CID74767926
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(CC3CCN(C(=O)C4CC4)C3)c2c1
InChIInChI=1S/C30H30N4O2/c1-31-29(35)25-13-14-26-27(17-25)34(19-20-15-16-33(18-20)30(36)24-11-12-24)28(32-26)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-10,13-14,17,20,24H,11-12,15-16,18-19H2,1H3,(H,31,35)
InChIKeyUHNMNNZSNGPATC-UHFFFAOYSA-N
XLogP4.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide (CID 74767926) is 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide is CNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(CC3CCN(C(=O)C4CC4)C3)c2c1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide?
The InChIKey is UHNMNNZSNGPATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-31-29(35)25-13-14-26-27(17-25)34(19-20-15-16-33(18-20)30(36)24-11-12-24)28(32-26)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-10,13-14,17,20,24H,11-12,15-16,18-19H2,1H3,(H,31,35).
What are the key properties of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide?
3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methyl-2-(4-phenylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 74767926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).