N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide

C30H33N5O2 — CID 45238330

IUPACN-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide
SMILESCCc1nc2cc(NC(C)=O)cc(C(=O)N3CCCC(c4ccccc4C)C3)c2n1Cc1cccnc1
InChIInChI=1S/C30H33N5O2/c1-4-28-33-27-16-24(32-21(3)36)15-26(29(27)35(28)18-22-10-7-13-31-17-22)30(37)34-14-8-11-23(19-34)25-12-6-5-9-20(25)2/h5-7,9-10,12-13,15-17,23H,4,8,11,14,18-19H2,1-3H3,(H,32,36)
InChIKeyNGFVQKAJEWDHLU-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.33
Rot. Bonds6

About N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide

N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide (PubChem CID 45238330) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide
PubChem CID45238330
Molecular FormulaC30H33N5O2
Molecular Weight495.63 g/mol
Exact Mass495.26
IUPAC NameN-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide
SMILESCCc1nc2cc(NC(C)=O)cc(C(=O)N3CCCC(c4ccccc4C)C3)c2n1Cc1cccnc1
InChIInChI=1S/C30H33N5O2/c1-4-28-33-27-16-24(32-21(3)36)15-26(29(27)35(28)18-22-10-7-13-31-17-22)30(37)34-14-8-11-23(19-34)25-12-6-5-9-20(25)2/h5-7,9-10,12-13,15-17,23H,4,8,11,14,18-19H2,1-3H3,(H,32,36)
InChIKeyNGFVQKAJEWDHLU-UHFFFAOYSA-N
XLogP5.33
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-acetamido-2-ethyl-3-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzimidazole-4-carboxamide
CID 42479645
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
[(3R)-1-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazole-4-carbonyl]piperidin-3-yl]carbamic acid
CID 122703141
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97208620
5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124960914
(1-ethyl-3-methylpyrazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205511
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72923628
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 122702932
[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;ethane
CID 143090695

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide?
The IUPAC name of N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide (CID 45238330) is N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide is CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCCC(c4ccccc4C)C3)c2n1Cc1cccnc1.
What is the InChIKey of N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide?
The InChIKey is NGFVQKAJEWDHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-4-28-33-27-16-24(32-21(3)36)15-26(29(27)35(28)18-22-10-7-13-31-17-22)30(37)34-14-8-11-23(19-34)25-12-6-5-9-20(25)2/h5-7,9-10,12-13,15-17,23H,4,8,11,14,18-19H2,1-3H3,(H,32,36).
What are the key properties of N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide?
N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide has a molecular weight of 495.63 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-7-[3-(2-methylphenyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 45238330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).