[2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone

C20H22N4O — CID 56835765

IUPAC[2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cc2n1CC1CCNCC1
InChIInChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)
InChIKeyCMCWMODUNMLBRJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.85
Rot. Bonds4

About [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone

[2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone (PubChem CID 56835765) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone
PubChem CID56835765
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cc2n1CC1CCNCC1
InChIInChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)
InChIKeyCMCWMODUNMLBRJ-UHFFFAOYSA-N
XLogP2.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone (CID 56835765) is [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone is Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CC1CCNCC1.
What is the InChIKey of [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone?
The InChIKey is CMCWMODUNMLBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23).
What are the key properties of [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone?
[2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone has a molecular weight of 334.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(piperidin-4-ylmethyl)benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 56835765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).