(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate

C15H13N3O2 — CID 139747232

IUPAC(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate
SMILESCc1ccccc1OC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O2/c1-10-6-2-5-9-13(10)20-15(19)18-14-16-11-7-3-4-8-12(11)17-14/h2-9H,1H3,(H2,16,17,18,19)
InChIKeySWPJMCBGIQGBHD-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.48
Rot. Bonds2

About (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate

(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate (PubChem CID 139747232) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Name(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate
PubChem CID139747232
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate
SMILESCc1ccccc1OC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O2/c1-10-6-2-5-9-13(10)20-15(19)18-14-16-11-7-3-4-8-12(11)17-14/h2-9H,1H3,(H2,16,17,18,19)
InChIKeySWPJMCBGIQGBHD-UHFFFAOYSA-N
XLogP3.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
2-(1H-benzimidazol-2-ylcarbamoyloxy)ethylazanium
CID 7008854
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
CID 175010873
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 53463240
1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
CID 171986665
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate?
The IUPAC name of (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate (CID 139747232) is (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate is Cc1ccccc1OC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate?
The InChIKey is SWPJMCBGIQGBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-6-2-5-9-13(10)20-15(19)18-14-16-11-7-3-4-8-12(11)17-14/h2-9H,1H3,(H2,16,17,18,19).
What are the key properties of (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate?
(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate has a molecular weight of 267.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 139747232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).