N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide

C18H19N3O2 — CID 110793668

IUPACN-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2ccc3nc[nH]c3c2)cc1C
InChIInChI=1S/C18H19N3O2/c1-11-7-17(23-3)12(2)6-14(11)9-19-18(22)13-4-5-15-16(8-13)21-10-20-15/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyNNTINDRDFRQAKM-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.12
Rot. Bonds4

About N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide

N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110793668) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID110793668
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2ccc3nc[nH]c3c2)cc1C
InChIInChI=1S/C18H19N3O2/c1-11-7-17(23-3)12(2)6-14(11)9-19-18(22)13-4-5-15-16(8-13)21-10-20-15/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyNNTINDRDFRQAKM-UHFFFAOYSA-N
XLogP3.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795807
N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794398
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795781
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 75434360
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 115991489
N-[[2-(aminomethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 62949714
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 17424349
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 167876967
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108540850
N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110793670

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 110793668) is N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide is COc1cc(C)c(CNC(=O)c2ccc3nc[nH]c3c2)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is NNTINDRDFRQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-7-17(23-3)12(2)6-14(11)9-19-18(22)13-4-5-15-16(8-13)21-10-20-15/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110793668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).