methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate

C11H13N3O2 — CID 69017528

IUPACmethyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate
SMILESCCc1cccc2[nH]c(NC(=O)OC)nc12
InChIInChI=1S/C11H13N3O2/c1-3-7-5-4-6-8-9(7)13-10(12-8)14-11(15)16-2/h4-6H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyAPVUCOJIYLJPAR-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.30
Rot. Bonds2

About methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate

methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 69017528) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate
PubChem CID69017528
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate
SMILESCCc1cccc2[nH]c(NC(=O)OC)nc12
InChIInChI=1S/C11H13N3O2/c1-3-7-5-4-6-8-9(7)13-10(12-8)14-11(15)16-2/h4-6H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyAPVUCOJIYLJPAR-UHFFFAOYSA-N
XLogP2.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate
CID 23619181
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-benzimidazol-4-yl]carbamate
CID 126509308
[2-(methoxycarbonylamino)-1H-benzimidazol-4-yl] 3,4,5-trimethoxybenzoate
CID 10201033
2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
CID 175010873
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride
CID 70250541
2-(4-ethyl-1H-benzimidazol-2-yl)acetonitrile
CID 84618582
1-(2-ethyl-1H-benzimidazol-4-yl)propan-2-one
CID 83881168
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
methyl N-[6-butyl-5-[[6-butyl-2-(methoxycarbonylamino)-1H-benzimidazol-5-yl]disulfanyl]-1H-benzimidazol-2-yl]carbamate
CID 13093625
(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
CID 119808417

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate (CID 69017528) is methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate is CCc1cccc2[nH]c(NC(=O)OC)nc12.
What is the InChIKey of methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is APVUCOJIYLJPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-7-5-4-6-8-9(7)13-10(12-8)14-11(15)16-2/h4-6H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate?
methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 219.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 69017528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).