[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate

C19H21N3O2 — CID 134115953

IUPAC[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1cccc(Cn2c(C)nc3ccccc32)c1
InChIInChI=1S/C19H21N3O2/c1-3-20-19(23)24-13-16-8-6-7-15(11-16)12-22-14(2)21-17-9-4-5-10-18(17)22/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyNMMMYZHJPIPRMZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.64
Rot. Bonds5

About [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate

[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate (PubChem CID 134115953) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate
PubChem CID134115953
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1cccc(Cn2c(C)nc3ccccc32)c1
InChIInChI=1S/C19H21N3O2/c1-3-20-19(23)24-13-16-8-6-7-15(11-16)12-22-14(2)21-17-9-4-5-10-18(17)22/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyNMMMYZHJPIPRMZ-UHFFFAOYSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate 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

2-methyl-1-[(3-nitrophenyl)methyl]benzimidazole
CID 78906418
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111352753
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
CID 43349882
2-bromo-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
CID 115557285
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
benzyl N-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 18116769
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974270
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate?
The IUPAC name of [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate (CID 134115953) is [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate.
What is the SMILES notation for [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate?
The canonical SMILES for [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate is CCNC(=O)OCc1cccc(Cn2c(C)nc3ccccc32)c1.
What is the InChIKey of [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate?
The InChIKey is NMMMYZHJPIPRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-20-19(23)24-13-16-8-6-7-15(11-16)12-22-14(2)21-17-9-4-5-10-18(17)22/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate?
[3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate has a molecular weight of 323.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl N-ethylcarbamate is sourced from PubChem (CID 134115953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).