1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea

C17H18N4O — CID 3844150

IUPAC1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H18N4O/c1-2-12-6-5-7-13(10-12)19-17(22)18-11-16-20-14-8-3-4-9-15(14)21-16/h3-10H,2,11H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyYYEMCWCPUNTLDY-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.45
Rot. Bonds4

About 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea

1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea (PubChem CID 3844150) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
PubChem CID3844150
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H18N4O/c1-2-12-6-5-7-13(10-12)19-17(22)18-11-16-20-14-8-3-4-9-15(14)21-16/h3-10H,2,11H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyYYEMCWCPUNTLDY-UHFFFAOYSA-N
XLogP3.45
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
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1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 20972638
1-(1H-benzimidazol-2-ylmethyl)-3-(3-chlorophenyl)thiourea
CID 13196115
N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 35669369
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
N-(1H-benzimidazol-2-ylmethyl)-6-ethyl-4-oxochromene-2-carboxamide
CID 21008809
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
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2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea (CID 3844150) is 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea?
The InChIKey is YYEMCWCPUNTLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-12-6-5-7-13(10-12)19-17(22)18-11-16-20-14-8-3-4-9-15(14)21-16/h3-10H,2,11H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea?
1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea has a molecular weight of 294.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea is sourced from PubChem (CID 3844150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).