(1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine

C18H20ClN3 — CID 25154272

IUPAC(1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3/c1-12(2)17(20)18-21-15-8-3-4-9-16(15)22(18)11-13-6-5-7-14(19)10-13/h3-10,12,17H,11,20H2,1-2H3/t17-/m0/s1
InChIKeyZMEUFFRISVGDIO-KRWDZBQOSA-N
MW313.83 g/mol
LogP4.39
Rot. Bonds4

About (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine

(1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine (PubChem CID 25154272) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine
PubChem CID25154272
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name(1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3/c1-12(2)17(20)18-21-15-8-3-4-9-16(15)22(18)11-13-6-5-7-14(19)10-13/h3-10,12,17H,11,20H2,1-2H3/t17-/m0/s1
InChIKeyZMEUFFRISVGDIO-KRWDZBQOSA-N
XLogP4.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine (CID 25154272) is (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine is CC(C)[C@H](N)c1nc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is ZMEUFFRISVGDIO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-12(2)17(20)18-21-15-8-3-4-9-16(15)22(18)11-13-6-5-7-14(19)10-13/h3-10,12,17H,11,20H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine?
(1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 313.83 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 25154272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).