N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide

C25H32N4O — CID 71738019

IUPACN-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(C)C)cc1
InChIInChI=1S/C25H32N4O/c1-4-8-17-11-13-19(14-12-17)25(30)28-22-15-20-21(16-23(22)29(2)3)27-24(26-20)18-9-6-5-7-10-18/h11-16,18H,4-10H2,1-3H3,(H,26,27)(H,28,30)
InChIKeyBESJCRUOAWMZKJ-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.88
Rot. Bonds6

About N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide

N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide (PubChem CID 71738019) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide
PubChem CID71738019
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(C)C)cc1
InChIInChI=1S/C25H32N4O/c1-4-8-17-11-13-19(14-12-17)25(30)28-22-15-20-21(16-23(22)29(2)3)27-24(26-20)18-9-6-5-7-10-18/h11-16,18H,4-10H2,1-3H3,(H,26,27)(H,28,30)
InChIKeyBESJCRUOAWMZKJ-UHFFFAOYSA-N
XLogP5.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide 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-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-ethylbenzamide
CID 72793866
4-chloro-N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide
CID 25101001
N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 72793662
1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea
CID 72793846
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]benzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]butanamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]cyclopentanecarboxamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]pentanamide;propyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate
CID 159511219
N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide
CID 162649515
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
CID 118096524
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide?
The IUPAC name of N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide (CID 71738019) is N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide.
What is the SMILES notation for N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide?
The canonical SMILES for N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide is CCCc1ccc(C(=O)Nc2cc3[nH]c(C4CCCCC4)nc3cc2N(C)C)cc1.
What is the InChIKey of N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide?
The InChIKey is BESJCRUOAWMZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-4-8-17-11-13-19(14-12-17)25(30)28-22-15-20-21(16-23(22)29(2)3)27-24(26-20)18-9-6-5-7-10-18/h11-16,18H,4-10H2,1-3H3,(H,26,27)(H,28,30).
What are the key properties of N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide?
N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide has a molecular weight of 404.56 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-propylbenzamide is sourced from PubChem (CID 71738019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).