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

C15H17N5S — CID 15037377

IUPACN-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
SMILESc1ccc2c(c1)nc(NC1CCNC1)n2Cc1cscn1
InChIInChI=1S/C15H17N5S/c1-2-4-14-13(3-1)19-15(18-11-5-6-16-7-11)20(14)8-12-9-21-10-17-12/h1-4,9-11,16H,5-8H2,(H,18,19)
InChIKeyMURLSYHFRMHHDU-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.31
Rot. Bonds4

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

N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine (PubChem CID 15037377) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
PubChem CID15037377
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
SMILESc1ccc2c(c1)nc(NC1CCNC1)n2Cc1cscn1
InChIInChI=1S/C15H17N5S/c1-2-4-14-13(3-1)19-15(18-11-5-6-16-7-11)20(14)8-12-9-21-10-17-12/h1-4,9-11,16H,5-8H2,(H,18,19)
InChIKeyMURLSYHFRMHHDU-UHFFFAOYSA-N
XLogP2.31
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
CID 22036977
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
N-piperidin-4-yl-9-(1,3-thiazol-4-ylmethyl)purin-8-amine
CID 19785361
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
ethyl N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]carbamate
CID 54560820
N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine;oxalic acid
CID 67895676
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 140989898
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598
1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 142035219
1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 86782857
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
CID 115144104

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The IUPAC name of N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine (CID 15037377) is N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine is c1ccc2c(c1)nc(NC1CCNC1)n2Cc1cscn1.
What is the InChIKey of N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The InChIKey is MURLSYHFRMHHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-2-4-14-13(3-1)19-15(18-11-5-6-16-7-11)20(14)8-12-9-21-10-17-12/h1-4,9-11,16H,5-8H2,(H,18,19).
What are the key properties of N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine has a molecular weight of 299.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 15037377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).