1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine

C15H18N4S — CID 63284617

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine
SMILESCc1ncsc1Cn1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C15H18N4S/c1-9(2)15-18-12-6-11(16)4-5-13(12)19(15)7-14-10(3)17-8-20-14/h4-6,8-9H,7,16H2,1-3H3
InChIKeyOYHRDAXFZNNSJQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.56
Rot. Bonds3

About 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 63284617) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine
PubChem CID63284617
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine
SMILESCc1ncsc1Cn1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C15H18N4S/c1-9(2)15-18-12-6-11(16)4-5-13(12)19(15)7-14-10(3)17-8-20-14/h4-6,8-9H,7,16H2,1-3H3
InChIKeyOYHRDAXFZNNSJQ-UHFFFAOYSA-N
XLogP3.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 63280635
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62508411
5-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 63280677
5-[[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 63280502
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
6-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79301839
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
5-[[2-(1-chloroethyl)-7-methylbenzimidazol-1-yl]methyl]-4-methyl-1,3-thiazole
CID 115553473
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500
2-(1-chloroethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-one
CID 63281185
1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506902

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine (CID 63284617) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine is Cc1ncsc1Cn1c(C(C)C)nc2cc(N)ccc21.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is OYHRDAXFZNNSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-9(2)15-18-12-6-11(16)4-5-13(12)19(15)7-14-10(3)17-8-20-14/h4-6,8-9H,7,16H2,1-3H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 286.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 63284617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).