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

C19H22N6O — CID 167847284

IUPACN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)C2CCc3nc(C)[nH]c3C2)n[nH]1
InChIInChI=1S/C19H22N6O/c1-3-17-23-18(25-24-17)13-6-4-5-7-14(13)22-19(26)12-8-9-15-16(10-12)21-11(2)20-15/h4-7,12H,3,8-10H2,1-2H3,(H,20,21)(H,22,26)(H,23,24,25)
InChIKeyNSZCFMCIARQQLF-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.81
Rot. Bonds4

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

N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 167847284) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID167847284
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)C2CCc3nc(C)[nH]c3C2)n[nH]1
InChIInChI=1S/C19H22N6O/c1-3-17-23-18(25-24-17)13-6-4-5-7-14(13)22-19(26)12-8-9-15-16(10-12)21-11(2)20-15/h4-7,12H,3,8-10H2,1-2H3,(H,20,21)(H,22,26)(H,23,24,25)
InChIKeyNSZCFMCIARQQLF-UHFFFAOYSA-N
XLogP2.81
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
N-(2,3-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640466
N-(2-carbamoylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640444
(5R)-2-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100664473
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167791700
2-methyl-N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628425
N-(3-acetylphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640439
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
N-(5-chloro-2-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640483
N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640414
2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640337
N-(3-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640413

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 167847284) is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is CCc1nc(-c2ccccc2NC(=O)C2CCc3nc(C)[nH]c3C2)n[nH]1.
What is the InChIKey of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is NSZCFMCIARQQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-17-23-18(25-24-17)13-6-4-5-7-14(13)22-19(26)12-8-9-15-16(10-12)21-11(2)20-15/h4-7,12H,3,8-10H2,1-2H3,(H,20,21)(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167847284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).