N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine

C14H18N6 — CID 61019366

IUPACN-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCCCn1c(CNCc2ncn[nH]2)nc2ccccc21
InChIInChI=1S/C14H18N6/c1-2-7-20-12-6-4-3-5-11(12)18-14(20)9-15-8-13-16-10-17-19-13/h3-6,10,15H,2,7-9H2,1H3,(H,16,17,19)
InChIKeyJTNNXADVAYZKSS-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.85
Rot. Bonds6

About N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine

N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 61019366) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID61019366
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCCCn1c(CNCc2ncn[nH]2)nc2ccccc21
InChIInChI=1S/C14H18N6/c1-2-7-20-12-6-4-3-5-11(12)18-14(20)9-15-8-13-16-10-17-19-13/h3-6,10,15H,2,7-9H2,1H3,(H,16,17,19)
InChIKeyJTNNXADVAYZKSS-UHFFFAOYSA-N
XLogP1.85
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
[2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230658
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
1-(1-propylbenzimidazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 119137523
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 61019367
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
4-[[(1-propylbenzimidazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380195
1-(6-methoxy-3-pyridinyl)-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine
CID 119137495
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 107267629
2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 106396239
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine (CID 61019366) is N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine is CCCn1c(CNCc2ncn[nH]2)nc2ccccc21.
What is the InChIKey of N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is JTNNXADVAYZKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-2-7-20-12-6-4-3-5-11(12)18-14(20)9-15-8-13-16-10-17-19-13/h3-6,10,15H,2,7-9H2,1H3,(H,16,17,19).
What are the key properties of N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine?
N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 270.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 61019366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).