N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C14H19N5O2 — CID 91628369

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1noc(CCCNC(=O)C2CCc3nc[nH]c3C2)n1
InChIInChI=1S/C14H19N5O2/c1-9-18-13(21-19-9)3-2-6-15-14(20)10-4-5-11-12(7-10)17-8-16-11/h8,10H,2-7H2,1H3,(H,15,20)(H,16,17)
InChIKeyWJNWENXZMAQOEY-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.96
Rot. Bonds5

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

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 91628369) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID91628369
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1noc(CCCNC(=O)C2CCc3nc[nH]c3C2)n1
InChIInChI=1S/C14H19N5O2/c1-9-18-13(21-19-9)3-2-6-15-14(20)10-4-5-11-12(7-10)17-8-16-11/h8,10H,2-7H2,1H3,(H,15,20)(H,16,17)
InChIKeyWJNWENXZMAQOEY-UHFFFAOYSA-N
XLogP0.96
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-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-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628447
(5R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661224
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975923
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640015
N-(cyclohexylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640134
N-(2,2-diethoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639994
1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 56803324
N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640349
N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640012
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 103796117

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 91628369) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1noc(CCCNC(=O)C2CCc3nc[nH]c3C2)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is WJNWENXZMAQOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-18-13(21-19-9)3-2-6-15-14(20)10-4-5-11-12(7-10)17-8-16-11/h8,10H,2-7H2,1H3,(H,15,20)(H,16,17).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91628369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).