4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

C16H18N4S — CID 62541257

IUPAC4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCn1c(-c2csc(CC3CCCN3)n2)nc2ccccc21
InChIInChI=1S/C16H18N4S/c1-20-14-7-3-2-6-12(14)19-16(20)13-10-21-15(18-13)9-11-5-4-8-17-11/h2-3,6-7,10-11,17H,4-5,8-9H2,1H3
InChIKeyDBEQTGQAIXKSEC-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.99
Rot. Bonds3

About 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 62541257) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID62541257
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCn1c(-c2csc(CC3CCCN3)n2)nc2ccccc21
InChIInChI=1S/C16H18N4S/c1-20-14-7-3-2-6-12(14)19-16(20)13-10-21-15(18-13)9-11-5-4-8-17-11/h2-3,6-7,10-11,17H,4-5,8-9H2,1H3
InChIKeyDBEQTGQAIXKSEC-UHFFFAOYSA-N
XLogP2.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540561
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
4-(5-bromo-2-fluorophenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 82967016
3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61336692
1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
CID 63379627
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 83693596
4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 79817603

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 62541257) is 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is Cn1c(-c2csc(CC3CCCN3)n2)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is DBEQTGQAIXKSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-20-14-7-3-2-6-12(14)19-16(20)13-10-21-15(18-13)9-11-5-4-8-17-11/h2-3,6-7,10-11,17H,4-5,8-9H2,1H3.
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 298.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 62541257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).