N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide

C11H17N3O — CID 113081462

IUPACN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
SMILESCCC(=O)NCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H17N3O/c1-2-11(15)12-7-10-13-8-5-3-4-6-9(8)14-10/h2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeySHGLNSTXHDXZMD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.31
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide

N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide (PubChem CID 113081462) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
PubChem CID113081462
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
SMILESCCC(=O)NCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H17N3O/c1-2-11(15)12-7-10-13-8-5-3-4-6-9(8)14-10/h2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeySHGLNSTXHDXZMD-UHFFFAOYSA-N
XLogP1.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide 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

2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide
CID 113081535
N-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 15851824
5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 146104021
3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081519
1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one
CID 83858416
1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea
CID 113081528
N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)methanamine
CID 63927396
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-ylmethyl)propan-2-amine
CID 63927415
3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
CID 113081493
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 113081515
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide
CID 146104746
4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081556

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide (CID 113081462) is N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide is CCC(=O)NCc1nc2c([nH]1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide?
The InChIKey is SHGLNSTXHDXZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-11(15)12-7-10-13-8-5-3-4-6-9(8)14-10/h2-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide?
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide has a molecular weight of 207.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide is sourced from PubChem (CID 113081462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).