2-amino-N-methyl-1H-benzimidazole-4-carboxamide

C9H10N4O — CID 166892984

IUPAC2-amino-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2[nH]c(N)nc12
InChIInChI=1S/C9H10N4O/c1-11-8(14)5-3-2-4-6-7(5)13-9(10)12-6/h2-4H,1H3,(H,11,14)(H3,10,12,13)
InChIKeyWWMGFFYRVWQSPP-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.50
Rot. Bonds1

About 2-amino-N-methyl-1H-benzimidazole-4-carboxamide

2-amino-N-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 166892984) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-amino-N-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-1H-benzimidazole-4-carboxamide
PubChem CID166892984
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-amino-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2[nH]c(N)nc12
InChIInChI=1S/C9H10N4O/c1-11-8(14)5-3-2-4-6-7(5)13-9(10)12-6/h2-4H,1H3,(H,11,14)(H3,10,12,13)
InChIKeyWWMGFFYRVWQSPP-UHFFFAOYSA-N
XLogP0.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
CID 68970037
2-amino-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-1H-benzimidazole-4-carboxamide
CID 68970317
N-methylphenazine-1-carboxamide
CID 4257706
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
CID 68973860
1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide
CID 170578668
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572
2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110701067
4-bromo-N-methyl-1H-benzimidazole-2-carboxamide
CID 176661682
2-amino-N-[5-(3,3-dimethylbutyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1H-benzimidazole-4-carboxamide
CID 87639848

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-1H-benzimidazole-4-carboxamide (CID 166892984) is 2-amino-N-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-1H-benzimidazole-4-carboxamide is CNC(=O)c1cccc2[nH]c(N)nc12.
What is the InChIKey of 2-amino-N-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is WWMGFFYRVWQSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-11-8(14)5-3-2-4-6-7(5)13-9(10)12-6/h2-4H,1H3,(H,11,14)(H3,10,12,13).
What are the key properties of 2-amino-N-methyl-1H-benzimidazole-4-carboxamide?
2-amino-N-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 190.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 166892984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).