N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide

C9H11N3O — CID 91107211

IUPACN-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)NCN2
InChIInChI=1S/C9H11N3O/c1-10-9(13)6-2-3-7-8(4-6)12-5-11-7/h2-4,11-12H,5H2,1H3,(H,10,13)
InChIKeyJBLYPAMBLYFIDN-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.84
Rot. Bonds1

About N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide

N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide (PubChem CID 91107211) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide
PubChem CID91107211
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)NCN2
InChIInChI=1S/C9H11N3O/c1-10-9(13)6-2-3-7-8(4-6)12-5-11-7/h2-4,11-12H,5H2,1H3,(H,10,13)
InChIKeyJBLYPAMBLYFIDN-UHFFFAOYSA-N
XLogP0.84
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 58916400
N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104828504
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614576
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614761
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
N-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614609
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614869
N-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614341
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide (CID 91107211) is N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)NCN2.
What is the InChIKey of N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide?
The InChIKey is JBLYPAMBLYFIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-10-9(13)6-2-3-7-8(4-6)12-5-11-7/h2-4,11-12H,5H2,1H3,(H,10,13).
What are the key properties of N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide?
N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3-dihydro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91107211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).