1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine

C14H16N4S — CID 86782857

IUPAC1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
SMILESCCCn1c(NCc2cscn2)nc2ccccc21
InChIInChI=1S/C14H16N4S/c1-2-7-18-13-6-4-3-5-12(13)17-14(18)15-8-11-9-19-10-16-11/h3-6,9-10H,2,7-8H2,1H3,(H,15,17)
InChIKeyKMERGNBIKWYVPE-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.51
Rot. Bonds5

About 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine

1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine (PubChem CID 86782857) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
PubChem CID86782857
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
SMILESCCCn1c(NCc2cscn2)nc2ccccc21
InChIInChI=1S/C14H16N4S/c1-2-7-18-13-6-4-3-5-12(13)17-14(18)15-8-11-9-19-10-16-11/h3-6,9-10H,2,7-8H2,1H3,(H,15,17)
InChIKeyKMERGNBIKWYVPE-UHFFFAOYSA-N
XLogP3.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine
CID 75434623
N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine
CID 978261
N-[(2,4-dimethoxyphenyl)methyl]-1-propylbenzimidazol-2-amine
CID 937254
2-[[(1-hexylbenzimidazol-2-yl)amino]methyl]phenol
CID 3442786
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 115606212
4-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 63826223
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 7342846
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 15037377

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine (CID 86782857) is 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine is CCCn1c(NCc2cscn2)nc2ccccc21.
What is the InChIKey of 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The InChIKey is KMERGNBIKWYVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-7-18-13-6-4-3-5-12(13)17-14(18)15-8-11-9-19-10-16-11/h3-6,9-10H,2,7-8H2,1H3,(H,15,17).
What are the key properties of 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine has a molecular weight of 272.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 86782857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).