4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide

C20H22N4O — CID 77451963

IUPAC4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1
InChIInChI=1S/C20H22N4O/c1-23-12-4-5-16(13-23)22-20(25)15-8-10-17(11-9-15)24-14-21-18-6-2-3-7-19(18)24/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,22,25)
InChIKeyKXDAPUMPRHFBET-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.85
Rot. Bonds3

About 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide

4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 77451963) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID77451963
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1
InChIInChI=1S/C20H22N4O/c1-23-12-4-5-16(13-23)22-20(25)15-8-10-17(11-9-15)24-14-21-18-6-2-3-7-19(18)24/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,22,25)
InChIKeyKXDAPUMPRHFBET-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591
4-(benzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555950
2-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1-phenylbenzimidazole-5-carboxamide
CID 95761729
[4-(benzimidazol-1-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649370
4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(benzimidazol-1-yl)phenyl]methanone
CID 40716447
N-(2-amino-1-cyclopropylethyl)-4-(benzimidazol-1-yl)benzamide
CID 119613835
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
N-(1-azabicyclo[3.2.1]octan-5-yl)-4-(benzimidazol-1-yl)benzamide
CID 167851757
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide (CID 77451963) is 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is KXDAPUMPRHFBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-12-4-5-16(13-23)22-20(25)15-8-10-17(11-9-15)24-14-21-18-6-2-3-7-19(18)24/h2-3,6-11,14,16H,4-5,12-13H2,1H3,(H,22,25).
What are the key properties of 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide?
4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 77451963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).