1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine

C18H18N4 — CID 647353

IUPAC1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine
SMILESCCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C18H18N4/c1-2-22-17-10-6-5-9-16(17)21-18(22)20-12-13-11-19-15-8-4-3-7-14(13)15/h3-11,19H,2,12H2,1H3,(H,20,21)
InChIKeyDRVYOMZYFNAKKT-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.15
Rot. Bonds4

About 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine

1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine (PubChem CID 647353) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine
PubChem CID647353
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine
SMILESCCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C18H18N4/c1-2-22-17-10-6-5-9-16(17)21-18(22)20-12-13-11-19-15-8-4-3-7-14(13)15/h3-11,19H,2,12H2,1H3,(H,20,21)
InChIKeyDRVYOMZYFNAKKT-UHFFFAOYSA-N
XLogP4.15
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-3-ylmethyl)-1-pentylbenzimidazol-2-amine
CID 4205346
4-bromo-2-[[(1-ethylbenzimidazol-2-yl)amino]methyl]phenol
CID 787412
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 7342846
1-ethyl-N-(4-fluorophenyl)benzimidazol-2-amine
CID 924376
N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
CID 115143953
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 937788
N-[(9-ethylcarbazol-3-yl)methyl]-1-(2-phenylethyl)benzimidazol-2-amine
CID 166172551
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine
CID 75434623
1-butyl-N-[(2,3-dimethoxyphenyl)methyl]benzimidazol-2-amine
CID 4265206
2-N-(1-ethylbenzimidazol-2-yl)benzene-1,2-diamine
CID 91927564
N-(4-chlorophenyl)-1-ethylbenzimidazol-2-amine
CID 924403

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine (CID 647353) is 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine is CCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21.
What is the InChIKey of 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is DRVYOMZYFNAKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-22-17-10-6-5-9-16(17)21-18(22)20-12-13-11-19-15-8-4-3-7-14(13)15/h3-11,19H,2,12H2,1H3,(H,20,21).
What are the key properties of 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine?
1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 290.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 647353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).