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

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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).