N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine

C15H14BrN3 — CID 78911270

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
SMILESBrc1ccccc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14BrN3/c16-12-6-2-1-5-11(12)9-17-10-15-18-13-7-3-4-8-14(13)19-15/h1-8,17H,9-10H2,(H,18,19)
InChIKeyTVRQPRUTOMDMSY-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.62
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine

N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine (PubChem CID 78911270) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
PubChem CID78911270
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
SMILESBrc1ccccc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14BrN3/c16-12-6-2-1-5-11(12)9-17-10-15-18-13-7-3-4-8-14(13)19-15/h1-8,17H,9-10H2,(H,18,19)
InChIKeyTVRQPRUTOMDMSY-UHFFFAOYSA-N
XLogP3.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine 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-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
CID 78911310
N-(1H-benzimidazol-2-ylmethyl)-1-(2,5-dimethylthiophen-3-yl)methanamine
CID 78991548
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
CID 78911282
N-(1H-benzimidazol-2-ylmethyl)-1-(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
CID 66526522
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
CID 78913462
[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol
CID 78996710
4-[(1H-benzimidazol-2-ylmethylamino)methyl]benzene-1,2-diol
CID 78911241
N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine
CID 79036370

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine (CID 78911270) is N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine is Brc1ccccc1CNCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine?
The InChIKey is TVRQPRUTOMDMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c16-12-6-2-1-5-11(12)9-17-10-15-18-13-7-3-4-8-14(13)19-15/h1-8,17H,9-10H2,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine has a molecular weight of 316.20 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine is sourced from PubChem (CID 78911270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).