1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine

C19H20N6 — CID 22037023

IUPAC1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine
SMILESc1ccc2[nH]c(-n3c(NC4CCNCC4)nc4ccccc43)nc2c1
InChIInChI=1S/C19H20N6/c1-2-6-15-14(5-1)22-19(23-15)25-17-8-4-3-7-16(17)24-18(25)21-13-9-11-20-12-10-13/h1-8,13,20H,9-12H2,(H,21,24)(H,22,23)
InChIKeyBBSHIISROGPBHP-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.07
Rot. Bonds3

About 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine

1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine (PubChem CID 22037023) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine
PubChem CID22037023
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine
SMILESc1ccc2[nH]c(-n3c(NC4CCNCC4)nc4ccccc43)nc2c1
InChIInChI=1S/C19H20N6/c1-2-6-15-14(5-1)22-19(23-15)25-17-8-4-3-7-16(17)24-18(25)21-13-9-11-20-12-10-13/h1-8,13,20H,9-12H2,(H,21,24)(H,22,23)
InChIKeyBBSHIISROGPBHP-UHFFFAOYSA-N
XLogP3.07
TPSA70.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine (CID 22037023) is 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine is c1ccc2[nH]c(-n3c(NC4CCNCC4)nc4ccccc43)nc2c1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine?
The InChIKey is BBSHIISROGPBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-6-15-14(5-1)22-19(23-15)25-17-8-4-3-7-16(17)24-18(25)21-13-9-11-20-12-10-13/h1-8,13,20H,9-12H2,(H,21,24)(H,22,23).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine?
1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine has a molecular weight of 332.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine is sourced from PubChem (CID 22037023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).