2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine

C18H21N3O — CID 54757246

IUPAC2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine
SMILESCOc1cccc(Cn2c(C(C)(C)N)nc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c1-18(2,19)17-20-15-9-4-5-10-16(15)21(17)12-13-7-6-8-14(11-13)22-3/h4-11H,12,19H2,1-3H3
InChIKeyMUMFXVWZWDQJIC-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.29
Rot. Bonds4

About 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine

2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine (PubChem CID 54757246) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine
PubChem CID54757246
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine
SMILESCOc1cccc(Cn2c(C(C)(C)N)nc3ccccc32)c1
InChIInChI=1S/C18H21N3O/c1-18(2,19)17-20-15-9-4-5-10-16(15)21(17)12-13-7-6-8-14(11-13)22-3/h4-11H,12,19H2,1-3H3
InChIKeyMUMFXVWZWDQJIC-UHFFFAOYSA-N
XLogP3.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine 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

1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
1-[(3-bromophenyl)methyl]-2-tert-butylbenzimidazole
CID 17000378
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 112787945
1-[2-(diethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]benzimidazol-2-amine;hydrochloride
CID 6603193
N-butyl-1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-amine
CID 137474559
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
(E)-1-(1-benzylbenzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 177248540
1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998087
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769521
3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzenecarbothioamide
CID 82032157
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine (CID 54757246) is 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine is COc1cccc(Cn2c(C(C)(C)N)nc3ccccc32)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine?
The InChIKey is MUMFXVWZWDQJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(2,19)17-20-15-9-4-5-10-16(15)21(17)12-13-7-6-8-14(11-13)22-3/h4-11H,12,19H2,1-3H3.
What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine?
2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine is sourced from PubChem (CID 54757246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).