N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine

C21H20ClN3O2 — CID 134084189

IUPACN-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESCOc1ccc2c(c1)nc(CNCc1ccco1)n2Cc1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-26-17-7-8-20-19(11-17)24-21(13-23-12-18-6-3-9-27-18)25(20)14-15-4-2-5-16(22)10-15/h2-11,23H,12-14H2,1H3
InChIKeyORMMVTXMKXJHCK-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.63
Rot. Bonds7

About N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine

N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 134084189) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID134084189
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESCOc1ccc2c(c1)nc(CNCc1ccco1)n2Cc1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-26-17-7-8-20-19(11-17)24-21(13-23-12-18-6-3-9-27-18)25(20)14-15-4-2-5-16(22)10-15/h2-11,23H,12-14H2,1H3
InChIKeyORMMVTXMKXJHCK-UHFFFAOYSA-N
XLogP4.63
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]methanamine
CID 134084191
N-[[1-[(3-chlorophenyl)methyl]-6-propylsulfanylbenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 134084441
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]-N-methylmethanamine
CID 46310263
1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 134083504
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-methylpropyl]furan-2-carboxamide
CID 134083531
[1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methanol
CID 82334557
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065
5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole
CID 134083914
3-[(furan-2-ylmethylamino)methyl]-6-methoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 53208575
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 134084273
2-(4-bromophenyl)-N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]ethanamine
CID 134084368

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 134084189) is N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine is COc1ccc2c(c1)nc(CNCc1ccco1)n2Cc1cccc(Cl)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is ORMMVTXMKXJHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-26-17-7-8-20-19(11-17)24-21(13-23-12-18-6-3-9-27-18)25(20)14-15-4-2-5-16(22)10-15/h2-11,23H,12-14H2,1H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 381.86 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 134084189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).