ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate

C18H19N3O2 — CID 25065962

IUPACethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate
SMILESCCOC(=O)Nc1ccc2nc(-c3c(C)cccc3C)[nH]c2c1
InChIInChI=1S/C18H19N3O2/c1-4-23-18(22)19-13-8-9-14-15(10-13)21-17(20-14)16-11(2)6-5-7-12(16)3/h5-10H,4H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyAHKMWLGXNMVLDS-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.42
Rot. Bonds3

About ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate

ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate (PubChem CID 25065962) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate
PubChem CID25065962
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Nameethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate
SMILESCCOC(=O)Nc1ccc2nc(-c3c(C)cccc3C)[nH]c2c1
InChIInChI=1S/C18H19N3O2/c1-4-23-18(22)19-13-8-9-14-15(10-13)21-17(20-14)16-11(2)6-5-7-12(16)3/h5-10H,4H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyAHKMWLGXNMVLDS-UHFFFAOYSA-N
XLogP4.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-(2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965561
2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
CID 143659496
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
CID 25066170
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 141205717
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965611
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide
CID 25066171
2-[4-[6-[(3,4-dimethylphenyl)carbamoyl]-1H-benzimidazol-2-yl]-3,5-dimethylanilino]acetic acid
CID 66965549
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 25066173
ethyl (E)-3-[4-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]prop-2-enoate
CID 66965564
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate?
The IUPAC name of ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate (CID 25065962) is ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate?
The canonical SMILES for ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate is CCOC(=O)Nc1ccc2nc(-c3c(C)cccc3C)[nH]c2c1.
What is the InChIKey of ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate?
The InChIKey is AHKMWLGXNMVLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-23-18(22)19-13-8-9-14-15(10-13)21-17(20-14)16-11(2)6-5-7-12(16)3/h5-10H,4H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate?
ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,6-dimethylphenyl)-3H-benzimidazol-5-yl]carbamate is sourced from PubChem (CID 25065962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).