1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C17H21ClN4O2 — CID 84587432

IUPAC1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCn1c(CCNC(=O)NC2CC3CCC2O3)nc2cc(Cl)ccc21
InChIInChI=1S/C17H21ClN4O2/c1-22-14-4-2-10(18)8-12(14)20-16(22)6-7-19-17(23)21-13-9-11-3-5-15(13)24-11/h2,4,8,11,13,15H,3,5-7,9H2,1H3,(H2,19,21,23)
InChIKeyCZFQPGZRUOEVOP-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 84587432) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID84587432
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCn1c(CCNC(=O)NC2CC3CCC2O3)nc2cc(Cl)ccc21
InChIInChI=1S/C17H21ClN4O2/c1-22-14-4-2-10(18)8-12(14)20-16(22)6-7-19-17(23)21-13-9-11-3-5-15(13)24-11/h2,4,8,11,13,15H,3,5-7,9H2,1H3,(H2,19,21,23)
InChIKeyCZFQPGZRUOEVOP-UHFFFAOYSA-N
XLogP2.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea with MolForge

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Related Compounds

N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 75425810
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 166408298
(2S)-N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-(dimethylamino)-3-methylbutanamide
CID 86779822
2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
CID 62327428
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
methyl (2S,3aS,7aR)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124815127
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882360
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119882386
2-(1-methylbenzimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
CID 79755685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 84587432) is 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is Cn1c(CCNC(=O)NC2CC3CCC2O3)nc2cc(Cl)ccc21.
What is the InChIKey of 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is CZFQPGZRUOEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-22-14-4-2-10(18)8-12(14)20-16(22)6-7-19-17(23)21-13-9-11-3-5-15(13)24-11/h2,4,8,11,13,15H,3,5-7,9H2,1H3,(H2,19,21,23).
What are the key properties of 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 348.83 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 84587432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).