1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide

C27H30N6O2 — CID 14371300

IUPAC1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCn2c(C(=O)Nc3cc(C)ccn3)nc3ccccc32)CC1
InChIInChI=1S/C27H30N6O2/c1-20-11-12-28-25(19-20)30-27(34)26-29-21-7-3-4-8-22(21)33(26)18-15-31-13-16-32(17-14-31)23-9-5-6-10-24(23)35-2/h3-12,19H,13-18H2,1-2H3,(H,28,30,34)
InChIKeyAHWPDRVNMMBDFO-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.82
Rot. Bonds7

About 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide

1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide (PubChem CID 14371300) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide
PubChem CID14371300
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCn2c(C(=O)Nc3cc(C)ccn3)nc3ccccc32)CC1
InChIInChI=1S/C27H30N6O2/c1-20-11-12-28-25(19-20)30-27(34)26-29-21-7-3-4-8-22(21)33(26)18-15-31-13-16-32(17-14-31)23-9-5-6-10-24(23)35-2/h3-12,19H,13-18H2,1-2H3,(H,28,30,34)
InChIKeyAHWPDRVNMMBDFO-UHFFFAOYSA-N
XLogP3.82
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108530730
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4,6-trimethylbenzamide
CID 42266869
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10066711
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea
CID 69452906
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylquinazolin-4-one
CID 11761983
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
4-hydroxy-1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-6-oxopyridazine-3-carboxamide
CID 108798558
1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18885995
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide?
The IUPAC name of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide (CID 14371300) is 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide.
What is the SMILES notation for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide?
The canonical SMILES for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide is COc1ccccc1N1CCN(CCn2c(C(=O)Nc3cc(C)ccn3)nc3ccccc32)CC1.
What is the InChIKey of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide?
The InChIKey is AHWPDRVNMMBDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-20-11-12-28-25(19-20)30-27(34)26-29-21-7-3-4-8-22(21)33(26)18-15-31-13-16-32(17-14-31)23-9-5-6-10-24(23)35-2/h3-12,19H,13-18H2,1-2H3,(H,28,30,34).
What are the key properties of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide?
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methyl-2-pyridinyl)benzimidazole-2-carboxamide is sourced from PubChem (CID 14371300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).