4-(1H-indol-3-yl)imidazole-1,2-diamine

C11H11N5 — CID 82284365

IUPAC4-(1H-indol-3-yl)imidazole-1,2-diamine
SMILESNc1nc(-c2c[nH]c3ccccc23)cn1N
InChIInChI=1S/C11H11N5/c12-11-15-10(6-16(11)13)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,13H2,(H2,12,15)
InChIKeyUFCSCTCQZTXRTK-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.33
Rot. Bonds1

About 4-(1H-indol-3-yl)imidazole-1,2-diamine

4-(1H-indol-3-yl)imidazole-1,2-diamine (PubChem CID 82284365) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)imidazole-1,2-diamine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)imidazole-1,2-diamine
PubChem CID82284365
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name4-(1H-indol-3-yl)imidazole-1,2-diamine
SMILESNc1nc(-c2c[nH]c3ccccc23)cn1N
InChIInChI=1S/C11H11N5/c12-11-15-10(6-16(11)13)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,13H2,(H2,12,15)
InChIKeyUFCSCTCQZTXRTK-UHFFFAOYSA-N
XLogP1.33
TPSA85.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
2-(1H-indol-3-yl)aniline
CID 25210227
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857643
3-(1-phenylpyrazol-3-yl)-1H-indole
CID 135907657
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine
CID 87800834
5-(1H-indol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
CID 82482232
methane;3-phenyl-1H-indole
CID 167711687
2-amino-4-(furan-3-yl)-6-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 56873920
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)imidazole-1,2-diamine?
The IUPAC name of 4-(1H-indol-3-yl)imidazole-1,2-diamine (CID 82284365) is 4-(1H-indol-3-yl)imidazole-1,2-diamine.
What is the SMILES notation for 4-(1H-indol-3-yl)imidazole-1,2-diamine?
The canonical SMILES for 4-(1H-indol-3-yl)imidazole-1,2-diamine is Nc1nc(-c2c[nH]c3ccccc23)cn1N.
What is the InChIKey of 4-(1H-indol-3-yl)imidazole-1,2-diamine?
The InChIKey is UFCSCTCQZTXRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c12-11-15-10(6-16(11)13)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,13H2,(H2,12,15).
What are the key properties of 4-(1H-indol-3-yl)imidazole-1,2-diamine?
4-(1H-indol-3-yl)imidazole-1,2-diamine has a molecular weight of 213.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)imidazole-1,2-diamine is sourced from PubChem (CID 82284365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).