1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine

C23H26N6 — CID 140989898

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
SMILESc1ccc(Cn2ccnc2Cn2c(NC3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C23H26N6/c1-2-6-18(7-3-1)16-28-15-14-25-22(28)17-29-21-9-5-4-8-20(21)27-23(29)26-19-10-12-24-13-11-19/h1-9,14-15,19,24H,10-13,16-17H2,(H,26,27)
InChIKeyYSDFCSNKLNSYGT-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.49
Rot. Bonds6

About 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine

1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine (PubChem CID 140989898) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
PubChem CID140989898
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
SMILESc1ccc(Cn2ccnc2Cn2c(NC3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C23H26N6/c1-2-6-18(7-3-1)16-28-15-14-25-22(28)17-29-21-9-5-4-8-20(21)27-23(29)26-19-10-12-24-13-11-19/h1-9,14-15,19,24H,10-13,16-17H2,(H,26,27)
InChIKeyYSDFCSNKLNSYGT-UHFFFAOYSA-N
XLogP3.49
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
CID 22036977
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598
N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 15037377
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 142035219
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
CID 174431389
4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649347
1-[(E)-but-2-enyl]-N-piperidin-4-ylbenzimidazol-2-amine;ethane;3-fluoroprop-1-ene
CID 143187246

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine (CID 140989898) is 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine is c1ccc(Cn2ccnc2Cn2c(NC3CCNCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine?
The InChIKey is YSDFCSNKLNSYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-2-6-18(7-3-1)16-28-15-14-25-22(28)17-29-21-9-5-4-8-20(21)27-23(29)26-19-10-12-24-13-11-19/h1-9,14-15,19,24H,10-13,16-17H2,(H,26,27).
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine?
1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine has a molecular weight of 386.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine is sourced from PubChem (CID 140989898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).