1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide

C23H26N4O2 — CID 92625898

IUPAC1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(17-2-5-19(6-3-17)26-10-12-29-13-11-26)25-23(28)18-4-9-22-21(14-18)24-15-27(22)20-7-8-20/h2-6,9,14-16,20H,7-8,10-13H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyKGXHVNQPZCWKHL-MRXNPFEDSA-N
MW390.49 g/mol
LogP3.70
Rot. Bonds5

About 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide

1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide (PubChem CID 92625898) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide
PubChem CID92625898
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16(17-2-5-19(6-3-17)26-10-12-29-13-11-26)25-23(28)18-4-9-22-21(14-18)24-15-27(22)20-7-8-20/h2-6,9,14-16,20H,7-8,10-13H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyKGXHVNQPZCWKHL-MRXNPFEDSA-N
XLogP3.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
3-chloro-4-hydroxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48692579
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
2-(difluoromethyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561081
4-methyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3-nitrobenzamide
CID 48663876
1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46976355
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 124749549
4-methoxy-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyridine-2-carboxamide
CID 166208501
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97194553
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide (CID 92625898) is 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide?
The InChIKey is KGXHVNQPZCWKHL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(17-2-5-19(6-3-17)26-10-12-29-13-11-26)25-23(28)18-4-9-22-21(14-18)24-15-27(22)20-7-8-20/h2-6,9,14-16,20H,7-8,10-13H2,1H3,(H,25,28)/t16-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide?
1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 92625898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).