N-(1-methylbenzimidazol-2-yl)formamide

C9H9N3O — CID 142858770

IUPACN-(1-methylbenzimidazol-2-yl)formamide
SMILESCn1c(NC=O)nc2ccccc21
InChIInChI=1S/C9H9N3O/c1-12-8-5-3-2-4-7(8)11-9(12)10-6-13/h2-6H,1H3,(H,10,11,13)
InChIKeyVPLKBZQIIXTEGS-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.14
Rot. Bonds2

About N-(1-methylbenzimidazol-2-yl)formamide

N-(1-methylbenzimidazol-2-yl)formamide (PubChem CID 142858770) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-2-yl)formamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-2-yl)formamide
PubChem CID142858770
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-(1-methylbenzimidazol-2-yl)formamide
SMILESCn1c(NC=O)nc2ccccc21
InChIInChI=1S/C9H9N3O/c1-12-8-5-3-2-4-7(8)11-9(12)10-6-13/h2-6H,1H3,(H,10,11,13)
InChIKeyVPLKBZQIIXTEGS-UHFFFAOYSA-N
XLogP1.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
CID 140577195
CID 140577195
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910
N-(benzylideneamino)-1-methylbenzimidazol-2-amine
CID 589673
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
CID 106185170
N-(4,6-difluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine
CID 20828301
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
CID 923791
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-2-yl)formamide?
The IUPAC name of N-(1-methylbenzimidazol-2-yl)formamide (CID 142858770) is N-(1-methylbenzimidazol-2-yl)formamide.
What is the SMILES notation for N-(1-methylbenzimidazol-2-yl)formamide?
The canonical SMILES for N-(1-methylbenzimidazol-2-yl)formamide is Cn1c(NC=O)nc2ccccc21.
What is the InChIKey of N-(1-methylbenzimidazol-2-yl)formamide?
The InChIKey is VPLKBZQIIXTEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-8-5-3-2-4-7(8)11-9(12)10-6-13/h2-6H,1H3,(H,10,11,13).
What are the key properties of N-(1-methylbenzimidazol-2-yl)formamide?
N-(1-methylbenzimidazol-2-yl)formamide has a molecular weight of 175.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-2-yl)formamide is sourced from PubChem (CID 142858770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).