2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

C22H24N4O — CID 164964194

IUPAC2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(N2CC[C@@H](NC(=O)C3CC3c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C22H24N4O/c1-14-6-8-16(9-7-14)26-11-10-15(13-26)23-22(27)18-12-17(18)21-24-19-4-2-3-5-20(19)25-21/h2-9,15,17-18H,10-13H2,1H3,(H,23,27)(H,24,25)/t15-,17?,18?/m1/s1
InChIKeyCGEACJFWBIPWGU-FAEJEUNOSA-N
MW360.46 g/mol
LogP3.37
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide

2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 164964194) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
PubChem CID164964194
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(N2CC[C@@H](NC(=O)C3CC3c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C22H24N4O/c1-14-6-8-16(9-7-14)26-11-10-15(13-26)23-22(27)18-12-17(18)21-24-19-4-2-3-5-20(19)25-21/h2-9,15,17-18H,10-13H2,1H3,(H,23,27)(H,24,25)/t15-,17?,18?/m1/s1
InChIKeyCGEACJFWBIPWGU-FAEJEUNOSA-N
XLogP3.37
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 164964194) is 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is Cc1ccc(N2CC[C@@H](NC(=O)C3CC3c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is CGEACJFWBIPWGU-FAEJEUNOSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14-6-8-16(9-7-14)26-11-10-15(13-26)23-22(27)18-12-17(18)21-24-19-4-2-3-5-20(19)25-21/h2-9,15,17-18H,10-13H2,1H3,(H,23,27)(H,24,25)/t15-,17?,18?/m1/s1.
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide?
2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164964194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).