N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine

C11H12N6 — CID 106282981

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccccc2[nH]1)c1ncn[nH]1
InChIInChI=1S/C11H12N6/c1-7(10-12-6-13-17-10)14-11-15-8-4-2-3-5-9(8)16-11/h2-7H,1H3,(H,12,13,17)(H2,14,15,16)
InChIKeyKXENZMRCCSPMBL-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.85
Rot. Bonds3

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 106282981) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
PubChem CID106282981
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCC(Nc1nc2ccccc2[nH]1)c1ncn[nH]1
InChIInChI=1S/C11H12N6/c1-7(10-12-6-13-17-10)14-11-15-8-4-2-3-5-9(8)16-11/h2-7H,1H3,(H,12,13,17)(H2,14,15,16)
InChIKeyKXENZMRCCSPMBL-UHFFFAOYSA-N
XLogP1.85
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-benzimidazole-2,5-diamine
CID 106281242
N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
CID 60724163
N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 61038634
3-(1H-benzimidazol-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725840
2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 65191883
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 106544922
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 112547613
N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 60724213
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 63535929
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282142

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine (CID 106282981) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine is CC(Nc1nc2ccccc2[nH]1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is KXENZMRCCSPMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-7(10-12-6-13-17-10)14-11-15-8-4-2-3-5-9(8)16-11/h2-7H,1H3,(H,12,13,17)(H2,14,15,16).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 228.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 106282981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).