N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine

C16H14N4 — CID 115143953

IUPACN-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C16H14N4/c1-20-15-9-5-4-8-13(15)18-16(20)19-14-10-17-12-7-3-2-6-11(12)14/h2-10,17H,1H3,(H,18,19)
InChIKeyJVJPQWYDVDVPOT-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.80
Rot. Bonds2

About N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine

N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine (PubChem CID 115143953) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
PubChem CID115143953
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC NameN-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C16H14N4/c1-20-15-9-5-4-8-13(15)18-16(20)19-14-10-17-12-7-3-2-6-11(12)14/h2-10,17H,1H3,(H,18,19)
InChIKeyJVJPQWYDVDVPOT-UHFFFAOYSA-N
XLogP3.80
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-3-yl)-1,3-benzothiazol-2-amine
CID 155348789
N-(5-chloro-1H-indol-3-yl)-1-methyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 156865281
1-ethyl-N-(1H-indol-3-ylmethyl)benzimidazol-2-amine
CID 647353
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
CID 106185170
N-(1H-indol-3-ylmethyl)-1-pentylbenzimidazol-2-amine
CID 4205346
N-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-methyl-6-phenoxybenzimidazol-2-amine
CID 167428718
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 75490455
N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17417102
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
N-ethyl-1H-indol-3-amine
CID 22497863

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine (CID 115143953) is N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine is Cn1c(Nc2c[nH]c3ccccc23)nc2ccccc21.
What is the InChIKey of N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine?
The InChIKey is JVJPQWYDVDVPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-20-15-9-5-4-8-13(15)18-16(20)19-14-10-17-12-7-3-2-6-11(12)14/h2-10,17H,1H3,(H,18,19).
What are the key properties of N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine?
N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine has a molecular weight of 262.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 115143953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).