1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea

C14H13N5O — CID 108886074

IUPAC1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nc[nH]c3c2)nc1
InChIInChI=1S/C14H13N5O/c1-9-2-5-13(15-7-9)19-14(20)18-10-3-4-11-12(6-10)17-8-16-11/h2-8H,1H3,(H,16,17)(H2,15,18,19,20)
InChIKeyCQEOWPRWPJUTDA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.91
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea

1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea (PubChem CID 108886074) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
PubChem CID108886074
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3nc[nH]c3c2)nc1
InChIInChI=1S/C14H13N5O/c1-9-2-5-13(15-7-9)19-14(20)18-10-3-4-11-12(6-10)17-8-16-11/h2-8H,1H3,(H,16,17)(H2,15,18,19,20)
InChIKeyCQEOWPRWPJUTDA-UHFFFAOYSA-N
XLogP2.91
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 108886016
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
1-(3H-benzimidazol-5-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870768
1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108885965
1-(3H-benzimidazol-5-yl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 108885997
1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108895651
methyl 3-(3H-benzimidazol-5-ylcarbamoylamino)benzoate
CID 108886048
1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108885927
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea (CID 108886074) is 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2ccc3nc[nH]c3c2)nc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is CQEOWPRWPJUTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-2-5-13(15-7-9)19-14(20)18-10-3-4-11-12(6-10)17-8-16-11/h2-8H,1H3,(H,16,17)(H2,15,18,19,20).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea?
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 267.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108886074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).