1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea

C15H14N4O2 — CID 108869161

IUPAC1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H14N4O2/c1-21-12-4-2-3-10(7-12)18-15(20)19-11-5-6-13-14(8-11)17-9-16-13/h2-9H,1H3,(H,16,17)(H2,18,19,20)
InChIKeyCNOZTUDQKDPJNE-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.22
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea

1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea (PubChem CID 108869161) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
PubChem CID108869161
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H14N4O2/c1-21-12-4-2-3-10(7-12)18-15(20)19-11-5-6-13-14(8-11)17-9-16-13/h2-9H,1H3,(H,16,17)(H2,18,19,20)
InChIKeyCNOZTUDQKDPJNE-UHFFFAOYSA-N
XLogP3.22
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3H-benzimidazol-5-ylcarbamoylamino)benzoate
CID 108886048
1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 108886016
1-(3H-benzimidazol-5-yl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108885829
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate
CID 166393940
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
1-(3H-benzimidazol-5-yl)-3-(2,4-difluorophenyl)urea
CID 108886039

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea (CID 108869161) is 1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc3nc[nH]c3c2)c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea?
The InChIKey is CNOZTUDQKDPJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-12-4-2-3-10(7-12)18-15(20)19-11-5-6-13-14(8-11)17-9-16-13/h2-9H,1H3,(H,16,17)(H2,18,19,20).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea?
1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea has a molecular weight of 282.30 g/mol, XLogP of 3.22, 3 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-(3-methoxyphenyl)urea is sourced from PubChem (CID 108869161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).