1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one

C23H27N3O — CID 167658829

IUPAC1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one
SMILESCN1CCC(c2cccc3c2ncn3C(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-25-15-13-19(14-16-25)20-10-6-11-21-23(20)24-17-26(21)22(27)12-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-11,17,19H,5,9,12-16H2,1H3
InChIKeyRQTFHWGZSKXBMQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.51
Rot. Bonds5

About 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one

1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one (PubChem CID 167658829) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one
PubChem CID167658829
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one
SMILESCN1CCC(c2cccc3c2ncn3C(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-25-15-13-19(14-16-25)20-10-6-11-21-23(20)24-17-26(21)22(27)12-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-11,17,19H,5,9,12-16H2,1H3
InChIKeyRQTFHWGZSKXBMQ-UHFFFAOYSA-N
XLogP4.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one (CID 167658829) is 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one is CN1CCC(c2cccc3c2ncn3C(=O)CCCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one?
The InChIKey is RQTFHWGZSKXBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25-15-13-19(14-16-25)20-10-6-11-21-23(20)24-17-26(21)22(27)12-5-9-18-7-3-2-4-8-18/h2-4,6-8,10-11,17,19H,5,9,12-16H2,1H3.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one?
1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one has a molecular weight of 361.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)benzimidazol-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 167658829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).