N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine

C23H25N9S — CID 15037500

IUPACN-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESc1ccc2c(c1)nc(NC1CCN(CCNc3nc4ccncc4[nH]3)C1)n2Cc1cscn1
InChIInChI=1S/C23H25N9S/c1-2-4-21-19(3-1)30-23(32(21)13-17-14-33-15-26-17)27-16-6-9-31(12-16)10-8-25-22-28-18-5-7-24-11-20(18)29-22/h1-5,7,11,14-16H,6,8-10,12-13H2,(H,27,30)(H2,25,28,29)
InChIKeyDHJOLXYABPDVSA-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.41
Rot. Bonds8

About N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine

N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 15037500) has the molecular formula C23H25N9S and a molecular weight of 459.58 g/mol. Its IUPAC name is N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
PubChem CID15037500
Molecular FormulaC23H25N9S
Molecular Weight459.58 g/mol
Exact Mass459.20
IUPAC NameN-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESc1ccc2c(c1)nc(NC1CCN(CCNc3nc4ccncc4[nH]3)C1)n2Cc1cscn1
InChIInChI=1S/C23H25N9S/c1-2-4-21-19(3-1)30-23(32(21)13-17-14-33-15-26-17)27-16-6-9-31(12-16)10-8-25-22-28-18-5-7-24-11-20(18)29-22/h1-5,7,11,14-16H,6,8-10,12-13H2,(H,27,30)(H2,25,28,29)
InChIKeyDHJOLXYABPDVSA-UHFFFAOYSA-N
XLogP3.41
TPSA99.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine with MolForge

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Related Compounds

1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89725785
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-bromo-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89726625
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
1H-Benzimidazol-5-amine, 2-(4-thiazolyl)-
CID 134912
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 628020
2-((imidazo[1,2-a]pyridin-2-ylmethyl)thio)-1H-benzo[d]imidazole
CID 804234
N,N-dimethyl-N'-[4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-yl]-1,4-benzenediamine hydrobromide
CID 1117217
1,3-benzothiazol-2-yl(2-{[2-(1H-imidazol-4-yl)ethyl]amino}-4-pyrimidinyl)acetonitrile
CID 10269964
N-(1H-benzo[d]imidazol-2-yl)thiazol-2-amine
CID 11586565
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71679630
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71679792
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71680139

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine (CID 15037500) is N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine is c1ccc2c(c1)nc(NC1CCN(CCNc3nc4ccncc4[nH]3)C1)n2Cc1cscn1.
What is the InChIKey of N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is DHJOLXYABPDVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9S/c1-2-4-21-19(3-1)30-23(32(21)13-17-14-33-15-26-17)27-16-6-9-31(12-16)10-8-25-22-28-18-5-7-24-11-20(18)29-22/h1-5,7,11,14-16H,6,8-10,12-13H2,(H,27,30)(H2,25,28,29).
What are the key properties of N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 459.58 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 15037500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).