N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide

C10H11N3O2 — CID 168650786

IUPACN-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide
SMILESCn1c(CO)nc2cc(NC=O)ccc21
InChIInChI=1S/C10H11N3O2/c1-13-9-3-2-7(11-6-15)4-8(9)12-10(13)5-14/h2-4,6,14H,5H2,1H3,(H,11,15)
InChIKeyNIQWZFYAORJOSC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.63
Rot. Bonds3

About N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide

N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide (PubChem CID 168650786) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide
PubChem CID168650786
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide
SMILESCn1c(CO)nc2cc(NC=O)ccc21
InChIInChI=1S/C10H11N3O2/c1-13-9-3-2-7(11-6-15)4-8(9)12-10(13)5-14/h2-4,6,14H,5H2,1H3,(H,11,15)
InChIKeyNIQWZFYAORJOSC-UHFFFAOYSA-N
XLogP0.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168607058
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
(5-azido-1-methylbenzimidazol-2-yl)methanol
CID 152615576
N-(2-methyl-1-phenylbenzimidazol-5-yl)formamide
CID 56696508
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124842257
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
2-(chloromethyl)-1-methylbenzimidazole;ethane;1-methylbenzimidazole-2-carbaldehyde;(1-methylbenzimidazol-2-yl)methanol
CID 159813783
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
CID 138016864
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
[5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol
CID 159917142

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide?
The IUPAC name of N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide (CID 168650786) is N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide?
The canonical SMILES for N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide is Cn1c(CO)nc2cc(NC=O)ccc21.
What is the InChIKey of N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide?
The InChIKey is NIQWZFYAORJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-9-3-2-7(11-6-15)4-8(9)12-10(13)5-14/h2-4,6,14H,5H2,1H3,(H,11,15).
What are the key properties of N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide?
N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide has a molecular weight of 205.22 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide is sourced from PubChem (CID 168650786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).