1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea

C13H16N4O — CID 110748430

IUPAC1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-2-6-16-13(18)17-11-5-3-4-10(9-11)12-14-7-8-15-12/h3-5,7-9H,2,6H2,1H3,(H,14,15)(H2,16,17,18)
InChIKeyHWQNNVSHDVFSGU-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.61
Rot. Bonds4

About 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea

1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea (PubChem CID 110748430) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
PubChem CID110748430
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-2-6-16-13(18)17-11-5-3-4-10(9-11)12-14-7-8-15-12/h3-5,7-9H,2,6H2,1H3,(H,14,15)(H2,16,17,18)
InChIKeyHWQNNVSHDVFSGU-UHFFFAOYSA-N
XLogP2.61
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[3-(1H-imidazol-2-yl)phenyl]acetamide
CID 110470050
4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutanoic acid
CID 110471079
N-[3-(1H-imidazol-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119871944
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
CID 56826380
3-hydroxy-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110472407
phenyl N-[3-(1H-imidazol-2-yl)phenyl]carbamate
CID 110726422
N-[3-(1H-imidazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 110726436
cis-methyl (1R,2S)-2-[[3-(1H-imidazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 96504504
2-(cyclopropylmethylamino)-N-[3-(1H-imidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119871919
N-[3-(1H-imidazol-2-yl)phenyl]-N'-propylmethanimidamide
CID 54458234
1-propyl-3-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 53005885

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea (CID 110748430) is 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea is CCCNC(=O)Nc1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea?
The InChIKey is HWQNNVSHDVFSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-6-16-13(18)17-11-5-3-4-10(9-11)12-14-7-8-15-12/h3-5,7-9H,2,6H2,1H3,(H,14,15)(H2,16,17,18).
What are the key properties of 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea?
1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea has a molecular weight of 244.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea is sourced from PubChem (CID 110748430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).