phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate

C17H17N3O2 — CID 110711959

IUPACphenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
SMILESCn1c(CCNC(=O)Oc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H17N3O2/c1-20-15-10-6-5-9-14(15)19-16(20)11-12-18-17(21)22-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyBGGNRNWLGVMGOI-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.90
Rot. Bonds4

About phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate

phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate (PubChem CID 110711959) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
PubChem CID110711959
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Namephenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
SMILESCn1c(CCNC(=O)Oc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H17N3O2/c1-20-15-10-6-5-9-14(15)19-16(20)11-12-18-17(21)22-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyBGGNRNWLGVMGOI-UHFFFAOYSA-N
XLogP2.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate 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-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
CID 71279102
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
4-[3-[2-(1-methylbenzimidazol-2-yl)ethylamino]-3-oxoprop-1-enyl]benzoic acid
CID 91943240
3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 56790573
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 75490455
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
2-(ethylamino)-4-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 71852564

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate (CID 110711959) is phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate is Cn1c(CCNC(=O)Oc2ccccc2)nc2ccccc21.
What is the InChIKey of phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate?
The InChIKey is BGGNRNWLGVMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-15-10-6-5-9-14(15)19-16(20)11-12-18-17(21)22-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,21).
What are the key properties of phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate?
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 110711959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).