1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea

C15H15N5O — CID 18129110

IUPAC1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
SMILESCC(NC(=O)Nc1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N5O/c1-10(14-19-12-6-2-3-7-13(12)20-14)17-15(21)18-11-5-4-8-16-9-11/h2-10H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFVFKDYPGZMMTSL-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.84
Rot. Bonds3

About 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea (PubChem CID 18129110) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
PubChem CID18129110
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
SMILESCC(NC(=O)Nc1cccnc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N5O/c1-10(14-19-12-6-2-3-7-13(12)20-14)17-15(21)18-11-5-4-8-16-9-11/h2-10H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyFVFKDYPGZMMTSL-UHFFFAOYSA-N
XLogP2.84
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2906148
2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 86988501
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661
N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
CID 86988262
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 62674077
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 167797492
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea (CID 18129110) is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea is CC(NC(=O)Nc1cccnc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea?
The InChIKey is FVFKDYPGZMMTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10(14-19-12-6-2-3-7-13(12)20-14)17-15(21)18-11-5-4-8-16-9-11/h2-10H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea?
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea has a molecular weight of 281.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 18129110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).