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

C13H17N3O2 — CID 23619181

IUPACmethyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate
SMILESCCCCc1cccc2[nH]c(NC(=O)OC)nc12
InChIInChI=1S/C13H17N3O2/c1-3-4-6-9-7-5-8-10-11(9)15-12(14-10)16-13(17)18-2/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyCONZHMFQBUIUDZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.08
Rot. Bonds4

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

methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 23619181) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate
PubChem CID23619181
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate
SMILESCCCCc1cccc2[nH]c(NC(=O)OC)nc12
InChIInChI=1S/C13H17N3O2/c1-3-4-6-9-7-5-8-10-11(9)15-12(14-10)16-13(17)18-2/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyCONZHMFQBUIUDZ-UHFFFAOYSA-N
XLogP3.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(4-ethyl-1H-benzimidazol-2-yl)carbamate
CID 69017528
methyl N-[6-butyl-5-[[6-butyl-2-(methoxycarbonylamino)-1H-benzimidazol-5-yl]disulfanyl]-1H-benzimidazol-2-yl]carbamate
CID 13093625
N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride
CID 70250541
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-benzimidazol-4-yl]carbamate
CID 126509308
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
[2-(methoxycarbonylamino)-1H-benzimidazol-4-yl] 3,4,5-trimethoxybenzoate
CID 10201033
methyl N-(6-hexylsulfonyl-1H-benzimidazol-2-yl)carbamate
CID 70630653
methyl N-(6-octylsulfonyl-1H-benzimidazol-2-yl)carbamate
CID 71323488
2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
CID 175010873
4-(4-butyl-1H-benzimidazol-2-yl)-1,3-thiazole
CID 70464095
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
CID 163361730

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate (CID 23619181) is methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate is CCCCc1cccc2[nH]c(NC(=O)OC)nc12.
What is the InChIKey of methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is CONZHMFQBUIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-4-6-9-7-5-8-10-11(9)15-12(14-10)16-13(17)18-2/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate?
methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 247.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-butyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 23619181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).