1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea

C21H24N4O — CID 110776249

IUPAC1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
SMILESCn1c(C2CC2)nc2cc(CCNC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C21H24N4O/c1-25-19-10-7-15(13-18(19)24-20(25)17-8-9-17)11-12-22-21(26)23-14-16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H2,22,23,26)
InChIKeyKPFBZMAXIAEIDG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.49
Rot. Bonds6

About 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea

1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea (PubChem CID 110776249) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
PubChem CID110776249
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea
SMILESCn1c(C2CC2)nc2cc(CCNC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C21H24N4O/c1-25-19-10-7-15(13-18(19)24-20(25)17-8-9-17)11-12-22-21(26)23-14-16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H2,22,23,26)
InChIKeyKPFBZMAXIAEIDG-UHFFFAOYSA-N
XLogP3.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]-2-methoxybenzamide
CID 110791879
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110773369
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110786170
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide
CID 110786150
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
CID 96674760
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
CID 110776292
N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
CID 110766019
2-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 167881813

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea (CID 110776249) is 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea is Cn1c(C2CC2)nc2cc(CCNC(=O)NCc3ccccc3)ccc21.
What is the InChIKey of 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea?
The InChIKey is KPFBZMAXIAEIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-25-19-10-7-15(13-18(19)24-20(25)17-8-9-17)11-12-22-21(26)23-14-16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H2,22,23,26).
What are the key properties of 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea?
1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea has a molecular weight of 348.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]urea is sourced from PubChem (CID 110776249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).