1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine

C24H21ClN4 — CID 134083466

IUPAC1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine
SMILESNC(Cc1c[nH]c2ccccc12)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C24H21ClN4/c25-18-7-5-6-16(12-18)15-29-23-11-4-3-10-22(23)28-24(29)20(26)13-17-14-27-21-9-2-1-8-19(17)21/h1-12,14,20,27H,13,15,26H2
InChIKeyJYPFKDNTQJGSHC-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.46
Rot. Bonds5

About 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine

1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine (PubChem CID 134083466) has the molecular formula C24H21ClN4 and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine
PubChem CID134083466
Molecular FormulaC24H21ClN4
Molecular Weight400.91 g/mol
Exact Mass400.15
IUPAC Name1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine
SMILESNC(Cc1c[nH]c2ccccc12)c1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C24H21ClN4/c25-18-7-5-6-16(12-18)15-29-23-11-4-3-10-22(23)28-24(29)20(26)13-17-14-27-21-9-2-1-8-19(17)21/h1-12,14,20,27H,13,15,26H2
InChIKeyJYPFKDNTQJGSHC-UHFFFAOYSA-N
XLogP5.46
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]phenol
CID 134083465
N-[1-[1-[(3-chlorophenyl)methyl]-6-methoxybenzimidazol-2-yl]-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 134083522
2-[(3-chlorophenyl)methyl]-3-(1H-indol-3-yl)propanal
CID 174572153
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
(1S)-1-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 52994503
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879525
4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885131
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955
(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104911668
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
CID 16799897
N-benzyl-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 46347404

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine (CID 134083466) is 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine is NC(Cc1c[nH]c2ccccc12)c1nc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine?
The InChIKey is JYPFKDNTQJGSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4/c25-18-7-5-6-16(12-18)15-29-23-11-4-3-10-22(23)28-24(29)20(26)13-17-14-27-21-9-2-1-8-19(17)21/h1-12,14,20,27H,13,15,26H2.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine?
1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine has a molecular weight of 400.91 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 134083466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).