N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine

C19H22ClN3O — CID 78155048

IUPACN-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc2c(c1)ncn2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O/c1-14(12-24-2)21-10-16-5-8-19-18(9-16)22-13-23(19)11-15-3-6-17(20)7-4-15/h3-9,13-14,21H,10-12H2,1-2H3
InChIKeyIGBFBXKXEBNQHS-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.86
Rot. Bonds7

About N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine

N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine (PubChem CID 78155048) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine
PubChem CID78155048
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1ccc2c(c1)ncn2Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O/c1-14(12-24-2)21-10-16-5-8-19-18(9-16)22-13-23(19)11-15-3-6-17(20)7-4-15/h3-9,13-14,21H,10-12H2,1-2H3
InChIKeyIGBFBXKXEBNQHS-UHFFFAOYSA-N
XLogP3.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine (CID 78155048) is N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine is COCC(C)NCc1ccc2c(c1)ncn2Cc1ccc(Cl)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine?
The InChIKey is IGBFBXKXEBNQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14(12-24-2)21-10-16-5-8-19-18(9-16)22-13-23(19)11-15-3-6-17(20)7-4-15/h3-9,13-14,21H,10-12H2,1-2H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine?
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine has a molecular weight of 343.86 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]benzimidazol-5-yl]methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 78155048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).