N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide

C21H24N4O2 — CID 91813649

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
SMILESCOC1CCN(c2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C21H24N4O2/c1-27-17-10-12-25(13-11-17)16-8-6-15(7-9-16)21(26)22-14-20-23-18-4-2-3-5-19(18)24-20/h2-9,17H,10-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyMODTYGPXAQYAAJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.11
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide

N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide (PubChem CID 91813649) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
PubChem CID91813649
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
SMILESCOC1CCN(c2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C21H24N4O2/c1-27-17-10-12-25(13-11-17)16-8-6-15(7-9-16)21(26)22-14-20-23-18-4-2-3-5-19(18)24-20/h2-9,17H,10-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyMODTYGPXAQYAAJ-UHFFFAOYSA-N
XLogP3.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 117093184
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058
N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112791077
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide
CID 59826293
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 91813629
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide (CID 91813649) is N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide is COC1CCN(c2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide?
The InChIKey is MODTYGPXAQYAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-17-10-12-25(13-11-17)16-8-6-15(7-9-16)21(26)22-14-20-23-18-4-2-3-5-19(18)24-20/h2-9,17H,10-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide is sourced from PubChem (CID 91813649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).