N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine

C23H22ClN3O2 — CID 66526716

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CNCc2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O2/c1-28-21-8-4-5-17(23(21)29-15-16-9-11-18(24)12-10-16)13-25-14-22-26-19-6-2-3-7-20(19)27-22/h2-12,25H,13-15H2,1H3,(H,26,27)
InChIKeyULTVEXKUXZJLSD-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.09
Rot. Bonds8

About N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine

N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 66526716) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID66526716
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CNCc2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O2/c1-28-21-8-4-5-17(23(21)29-15-16-9-11-18(24)12-10-16)13-25-14-22-26-19-6-2-3-7-20(19)27-22/h2-12,25H,13-15H2,1H3,(H,26,27)
InChIKeyULTVEXKUXZJLSD-UHFFFAOYSA-N
XLogP5.09
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]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

3-(1H-benzimidazol-2-yl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66528649
N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66526725
3-(1H-benzimidazol-2-yl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 66528571
N-(1H-benzimidazol-2-ylmethyl)-1-[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66537187
N-(1H-benzimidazol-2-ylmethyl)-1-[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66538563
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208415
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716967
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 1017197
N-(1H-benzimidazol-2-ylmethyl)-1-[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66538511
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine;hydrochloride
CID 17291067
1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716137

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine (CID 66526716) is N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine is COc1cccc(CNCc2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is ULTVEXKUXZJLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-28-21-8-4-5-17(23(21)29-15-16-9-11-18(24)12-10-16)13-25-14-22-26-19-6-2-3-7-20(19)27-22/h2-12,25H,13-15H2,1H3,(H,26,27).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine has a molecular weight of 407.90 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 66526716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).