N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine

C30H28N4 — CID 166172551

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine
SMILESCCn1c2ccccc2c2cc(CNc3nc4ccccc4n3CCc3ccccc3)ccc21
InChIInChI=1S/C30H28N4/c1-2-33-27-14-8-6-12-24(27)25-20-23(16-17-28(25)33)21-31-30-32-26-13-7-9-15-29(26)34(30)19-18-22-10-4-3-5-11-22/h3-17,20H,2,18-19,21H2,1H3,(H,31,32)
InChIKeyJSLCOPNLQATYRK-UHFFFAOYSA-N
MW444.58 g/mol
LogP7.02
Rot. Bonds7

About N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine

N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine (PubChem CID 166172551) has the molecular formula C30H28N4 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine
PubChem CID166172551
Molecular FormulaC30H28N4
Molecular Weight444.58 g/mol
Exact Mass444.23
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine
SMILESCCn1c2ccccc2c2cc(CNc3nc4ccccc4n3CCc3ccccc3)ccc21
InChIInChI=1S/C30H28N4/c1-2-33-27-14-8-6-12-24(27)25-20-23(16-17-28(25)33)21-31-30-32-26-13-7-9-15-29(26)34(30)19-18-22-10-4-3-5-11-22/h3-17,20H,2,18-19,21H2,1H3,(H,31,32)
InChIKeyJSLCOPNLQATYRK-UHFFFAOYSA-N
XLogP7.02
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Lerisetron
CID 65997
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
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4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756
N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
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1-Carbazol-9-yl-3-(2-methyl-benzoimidazol-1-yl)-propan-2-ol
CID 2855383
Terpene resin
CID 168010184
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 23646778
1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52944297
(1-Methyl-1H-benzoimidazol-2-yl)-(4-methyl-benzyl)-amine
CID 1090102
4-(4-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 4314842
4-(3-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 5061586

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine (CID 166172551) is N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine is CCn1c2ccccc2c2cc(CNc3nc4ccccc4n3CCc3ccccc3)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine?
The InChIKey is JSLCOPNLQATYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4/c1-2-33-27-14-8-6-12-24(27)25-20-23(16-17-28(25)33)21-31-30-32-26-13-7-9-15-29(26)34(30)19-18-22-10-4-3-5-11-22/h3-17,20H,2,18-19,21H2,1H3,(H,31,32).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine?
N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine has a molecular weight of 444.58 g/mol, XLogP of 7.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine is sourced from PubChem (CID 166172551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).