N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C19H20N4O — CID 122153612

IUPACN-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NC1(c3cccc(C#N)c3)CC1)CC2
InChIInChI=1S/C19H20N4O/c1-12-21-16-6-5-14(10-17(16)22-12)18(24)23-19(7-8-19)15-4-2-3-13(9-15)11-20/h2-4,9,14H,5-8,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyUQQDFXVXHAKQNX-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.50
Rot. Bonds3

About N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 122153612) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID122153612
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)CC(C(=O)NC1(c3cccc(C#N)c3)CC1)CC2
InChIInChI=1S/C19H20N4O/c1-12-21-16-6-5-14(10-17(16)22-12)18(24)23-19(7-8-19)15-4-2-3-13(9-15)11-20/h2-4,9,14H,5-8,10H2,1H3,(H,21,22)(H,23,24)
InChIKeyUQQDFXVXHAKQNX-UHFFFAOYSA-N
XLogP2.50
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-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

N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
CID 154880376
N-(3-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640413
(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
CID 125144380
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
N-[3-(methanesulfonamido)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640558
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628447
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274
(5S)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100663453
N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide
CID 122153638
N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 154770748
methyl 2-(4-chlorophenyl)-2-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)amino]acetate
CID 90640656

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 122153612) is N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)CC(C(=O)NC1(c3cccc(C#N)c3)CC1)CC2.
What is the InChIKey of N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is UQQDFXVXHAKQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-21-16-6-5-14(10-17(16)22-12)18(24)23-19(7-8-19)15-4-2-3-13(9-15)11-20/h2-4,9,14H,5-8,10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 122153612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).