N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine

C17H16N4 — CID 30033461

IUPACN-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCCc3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C17H16N4/c1-2-6-14-13(5-1)12(11-19-14)9-10-18-17-20-15-7-3-4-8-16(15)21-17/h1-8,11,19H,9-10H2,(H2,18,20,21)
InChIKeyUOMGFKZTWBUWJF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine

N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 30033461) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
PubChem CID30033461
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCCc3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C17H16N4/c1-2-6-14-13(5-1)12(11-19-14)9-10-18-17-20-15-7-3-4-8-16(15)21-17/h1-8,11,19H,9-10H2,(H2,18,20,21)
InChIKeyUOMGFKZTWBUWJF-UHFFFAOYSA-N
XLogP3.70
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 115143891
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
3-[(1H-benzimidazol-2-ylamino)methyl]-1H-indole-6-carbonitrile
CID 166172613
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264546

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine (CID 30033461) is N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine is c1ccc2[nH]c(NCCc3c[nH]c4ccccc34)nc2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is UOMGFKZTWBUWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-6-14-13(5-1)12(11-19-14)9-10-18-17-20-15-7-3-4-8-16(15)21-17/h1-8,11,19H,9-10H2,(H2,18,20,21).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine?
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 30033461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).