1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea

C17H18N4O2 — CID 108885829

IUPAC1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(12-3-6-14(23-2)7-4-12)20-17(22)21-13-5-8-15-16(9-13)19-10-18-15/h3-11H,1-2H3,(H,18,19)(H2,20,21,22)
InChIKeyQPRGYPROCLJOBS-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.45
Rot. Bonds4

About 1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea

1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea (PubChem CID 108885829) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea
PubChem CID108885829
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(C)NC(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H18N4O2/c1-11(12-3-6-14(23-2)7-4-12)20-17(22)21-13-5-8-15-16(9-13)19-10-18-15/h3-11H,1-2H3,(H,18,19)(H2,20,21,22)
InChIKeyQPRGYPROCLJOBS-UHFFFAOYSA-N
XLogP3.45
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
methyl 3-(3H-benzimidazol-5-ylcarbamoylamino)benzoate
CID 108886048
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 10050530
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-(3H-benzimidazol-5-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 25056225

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea (CID 108885829) is 1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea is COc1ccc(C(C)NC(=O)Nc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is QPRGYPROCLJOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(12-3-6-14(23-2)7-4-12)20-17(22)21-13-5-8-15-16(9-13)19-10-18-15/h3-11H,1-2H3,(H,18,19)(H2,20,21,22).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea?
1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 310.36 g/mol, XLogP of 3.45, 4 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-[1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108885829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).