1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea

C15H15N5O — CID 134056803

IUPAC1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea
SMILESCn1c(CNC(=O)Nc2cccnc2)nc2ccccc21
InChIInChI=1S/C15H15N5O/c1-20-13-7-3-2-6-12(13)19-14(20)10-17-15(21)18-11-5-4-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,21)
InChIKeyMIHVNEXWQSJRJB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.29
Rot. Bonds3

About 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea

1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea (PubChem CID 134056803) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea
PubChem CID134056803
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea
SMILESCn1c(CNC(=O)Nc2cccnc2)nc2ccccc21
InChIInChI=1S/C15H15N5O/c1-20-13-7-3-2-6-12(13)19-14(20)10-17-15(21)18-11-5-4-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,21)
InChIKeyMIHVNEXWQSJRJB-UHFFFAOYSA-N
XLogP2.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701
1-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylurea
CID 52535419
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide
CID 131938275
N-[3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
CID 60575647
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
CID 43190607
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea (CID 134056803) is 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea is Cn1c(CNC(=O)Nc2cccnc2)nc2ccccc21.
What is the InChIKey of 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea?
The InChIKey is MIHVNEXWQSJRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20-13-7-3-2-6-12(13)19-14(20)10-17-15(21)18-11-5-4-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,21).
What are the key properties of 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea?
1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea has a molecular weight of 281.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 134056803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).