methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate

C15H14N4O2 — CID 14762440

IUPACmethyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate
SMILESCOC(=O)Nc1cc(N)c2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14N4O2/c1-21-15(20)17-10-7-11(16)13-12(8-10)18-14(19-13)9-5-3-2-4-6-9/h2-8H,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyVOVLPZZARSEFSR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.99
Rot. Bonds2

About methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate

methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate (PubChem CID 14762440) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate
PubChem CID14762440
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namemethyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate
SMILESCOC(=O)Nc1cc(N)c2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H14N4O2/c1-21-15(20)17-10-7-11(16)13-12(8-10)18-14(19-13)9-5-3-2-4-6-9/h2-8H,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyVOVLPZZARSEFSR-UHFFFAOYSA-N
XLogP2.99
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-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

Frequently Asked Questions

What is the IUPAC name of methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate?
The IUPAC name of methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate (CID 14762440) is methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate.
What is the SMILES notation for methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate?
The canonical SMILES for methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate is COC(=O)Nc1cc(N)c2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate?
The InChIKey is VOVLPZZARSEFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-15(20)17-10-7-11(16)13-12(8-10)18-14(19-13)9-5-3-2-4-6-9/h2-8H,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate?
methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate has a molecular weight of 282.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-amino-2-phenyl-3H-benzimidazol-5-yl)carbamate is sourced from PubChem (CID 14762440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).