1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine

C23H26N8 — CID 15037489

IUPAC1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine
SMILESc1ccc(Cn2c(NC3CCN(CCNc4ncccn4)C3)nc3ccccc32)nc1
InChIInChI=1S/C23H26N8/c1-2-8-21-20(7-1)29-23(31(21)17-18-6-3-4-10-24-18)28-19-9-14-30(16-19)15-13-27-22-25-11-5-12-26-22/h1-8,10-12,19H,9,13-17H2,(H,28,29)(H,25,26,27)
InChIKeyPFGJUPMSQDXVPJ-UHFFFAOYSA-N
MW414.52 g/mol
LogP2.87
Rot. Bonds8

About 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine

1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine (PubChem CID 15037489) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine
PubChem CID15037489
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine
SMILESc1ccc(Cn2c(NC3CCN(CCNc4ncccn4)C3)nc3ccccc32)nc1
InChIInChI=1S/C23H26N8/c1-2-8-21-20(7-1)29-23(31(21)17-18-6-3-4-10-24-18)28-19-9-14-30(16-19)15-13-27-22-25-11-5-12-26-22/h1-8,10-12,19H,9,13-17H2,(H,28,29)(H,25,26,27)
InChIKeyPFGJUPMSQDXVPJ-UHFFFAOYSA-N
XLogP2.87
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]chromen-2-one;dihydrochloride
CID 87206262
N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906747
1-[(5-methylfuran-2-yl)methyl]-N-[1-[2-(pyrimidin-2-ylamino)ethyl]azepan-4-yl]benzimidazol-2-amine;oxalate
CID 19875923
ethyl N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]carbamate
CID 54560820
[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid
CID 22343520
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 511008
N-[2-(1,3-benzodioxol-5-yl)-4-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 70110785
N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine;oxalic acid
CID 67895676
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-amine
CID 22343536
[3-(3,4-dimethoxyphenyl)-3-[2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 54233020
N-[1-(3-anilinopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891570
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine?
The IUPAC name of 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine (CID 15037489) is 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine is c1ccc(Cn2c(NC3CCN(CCNc4ncccn4)C3)nc3ccccc32)nc1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine?
The InChIKey is PFGJUPMSQDXVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-2-8-21-20(7-1)29-23(31(21)17-18-6-3-4-10-24-18)28-19-9-14-30(16-19)15-13-27-22-25-11-5-12-26-22/h1-8,10-12,19H,9,13-17H2,(H,28,29)(H,25,26,27).
What are the key properties of 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine?
1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine has a molecular weight of 414.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine is sourced from PubChem (CID 15037489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).