N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate

C12H12N3O3- — CID 21241839

IUPACN-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate
SMILESO=C([O-])Nc1nc2ccc(C(O)C3CC3)cc2[nH]1
InChIInChI=1S/C12H13N3O3/c16-10(6-1-2-6)7-3-4-8-9(5-7)14-11(13-8)15-12(17)18/h3-6,10,16H,1-2H2,(H,17,18)(H2,13,14,15)/p-1
InChIKeyGTZRQIPMZKJWJQ-UHFFFAOYSA-M
MW246.25 g/mol
LogP0.76
Rot. Bonds3

About N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate

N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 21241839) has the molecular formula C12H12N3O3- and a molecular weight of 246.25 g/mol. Its IUPAC name is N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound NameN-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate
PubChem CID21241839
Molecular FormulaC12H12N3O3-
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC NameN-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate
SMILESO=C([O-])Nc1nc2ccc(C(O)C3CC3)cc2[nH]1
InChIInChI=1S/C12H13N3O3/c16-10(6-1-2-6)7-3-4-8-9(5-7)14-11(13-8)15-12(17)18/h3-6,10,16H,1-2H2,(H,17,18)(H2,13,14,15)/p-1
InChIKeyGTZRQIPMZKJWJQ-UHFFFAOYSA-M
XLogP0.76
TPSA101.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate 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

N-[6-[(4-fluorophenyl)-(5-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate
CID 21241858
[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamic acid
CID 19105251
[6-[amino-(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;dihydrochloride
CID 67842381
N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
CID 2729289
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
cyclopropylmethyl 2-(cyclopropylmethoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 15723785
methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate
CID 117065290
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
(2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 46844006
N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
CID 141078201

Frequently Asked Questions

What is the IUPAC name of N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate (CID 21241839) is N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate is O=C([O-])Nc1nc2ccc(C(O)C3CC3)cc2[nH]1.
What is the InChIKey of N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is GTZRQIPMZKJWJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13N3O3/c16-10(6-1-2-6)7-3-4-8-9(5-7)14-11(13-8)15-12(17)18/h3-6,10,16H,1-2H2,(H,17,18)(H2,13,14,15)/p-1.
What are the key properties of N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate?
N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 246.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[cyclopropyl(hydroxy)methyl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 21241839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).