3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C17H24N4O2 — CID 78888249

IUPAC3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(C)C(NC(=O)N(CCO)C1CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H24N4O2/c1-11(2)15(16-18-13-5-3-4-6-14(13)19-16)20-17(23)21(9-10-22)12-7-8-12/h3-6,11-12,15,22H,7-10H2,1-2H3,(H,18,19)(H,20,23)
InChIKeyUBXZMYIRUJPEEH-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.43
Rot. Bonds6

About 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 78888249) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID78888249
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(C)C(NC(=O)N(CCO)C1CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H24N4O2/c1-11(2)15(16-18-13-5-3-4-6-14(13)19-16)20-17(23)21(9-10-22)12-7-8-12/h3-6,11-12,15,22H,7-10H2,1-2H3,(H,18,19)(H,20,23)
InChIKeyUBXZMYIRUJPEEH-UHFFFAOYSA-N
XLogP2.43
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86841638
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331862
1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630323
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 51158145
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 78888249) is 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is CC(C)C(NC(=O)N(CCO)C1CC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is UBXZMYIRUJPEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)15(16-18-13-5-3-4-6-14(13)19-16)20-17(23)21(9-10-22)12-7-8-12/h3-6,11-12,15,22H,7-10H2,1-2H3,(H,18,19)(H,20,23).
What are the key properties of 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 316.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 78888249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).