benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate

C19H19N3O2 — CID 90878995

IUPACbenzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate
SMILESCn1c(NC(=O)OCc2ccccc2)nc2c(C3CC3)cccc21
InChIInChI=1S/C19H19N3O2/c1-22-16-9-5-8-15(14-10-11-14)17(16)20-18(22)21-19(23)24-12-13-6-3-2-4-7-13/h2-9,14H,10-12H2,1H3,(H,20,21,23)
InChIKeyJVNCGQZVCMTSGY-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.20
Rot. Bonds4

About benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate

benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate (PubChem CID 90878995) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate
PubChem CID90878995
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namebenzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate
SMILESCn1c(NC(=O)OCc2ccccc2)nc2c(C3CC3)cccc21
InChIInChI=1S/C19H19N3O2/c1-22-16-9-5-8-15(14-10-11-14)17(16)20-18(22)21-19(23)24-12-13-6-3-2-4-7-13/h2-9,14H,10-12H2,1H3,(H,20,21,23)
InChIKeyJVNCGQZVCMTSGY-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate?
The IUPAC name of benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate (CID 90878995) is benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate.
What is the SMILES notation for benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate?
The canonical SMILES for benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate is Cn1c(NC(=O)OCc2ccccc2)nc2c(C3CC3)cccc21.
What is the InChIKey of benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate?
The InChIKey is JVNCGQZVCMTSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-16-9-5-8-15(14-10-11-14)17(16)20-18(22)21-19(23)24-12-13-6-3-2-4-7-13/h2-9,14H,10-12H2,1H3,(H,20,21,23).
What are the key properties of benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate?
benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate has a molecular weight of 321.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate is sourced from PubChem (CID 90878995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).