N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine

C26H29N7O — CID 14013248

IUPACN-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESc1coc(Cn2c(CC3CCN(CCNc4nc5ccncc5[nH]4)CC3)nc3ccccc32)c1
InChIInChI=1S/C26H29N7O/c1-2-6-24-22(5-1)29-25(33(24)18-20-4-3-15-34-20)16-19-8-12-32(13-9-19)14-11-28-26-30-21-7-10-27-17-23(21)31-26/h1-7,10,15,17,19H,8-9,11-14,16,18H2,(H2,28,30,31)
InChIKeyWZUJUOGMWYHRBB-UHFFFAOYSA-N
MW455.57 g/mol
LogP4.32
Rot. Bonds8

About N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine

N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 14013248) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
PubChem CID14013248
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC NameN-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESc1coc(Cn2c(CC3CCN(CCNc4nc5ccncc5[nH]4)CC3)nc3ccccc32)c1
InChIInChI=1S/C26H29N7O/c1-2-6-24-22(5-1)29-25(33(24)18-20-4-3-15-34-20)16-19-8-12-32(13-9-19)14-11-28-26-30-21-7-10-27-17-23(21)31-26/h1-7,10,15,17,19H,8-9,11-14,16,18H2,(H2,28,30,31)
InChIKeyWZUJUOGMWYHRBB-UHFFFAOYSA-N
XLogP4.32
TPSA87.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine (CID 14013248) is N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine is c1coc(Cn2c(CC3CCN(CCNc4nc5ccncc5[nH]4)CC3)nc3ccccc32)c1.
What is the InChIKey of N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is WZUJUOGMWYHRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-2-6-24-22(5-1)29-25(33(24)18-20-4-3-15-34-20)16-19-8-12-32(13-9-19)14-11-28-26-30-21-7-10-27-17-23(21)31-26/h1-7,10,15,17,19H,8-9,11-14,16,18H2,(H2,28,30,31).
What are the key properties of N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine?
N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 455.57 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 14013248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).