4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

C29H33N5O — CID 36554051

IUPAC4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESO=C(CCCc1nc2ccccc2[nH]1)NCc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H33N5O/c35-29(16-8-15-28-31-26-13-6-7-14-27(26)32-28)30-21-23-9-4-5-10-24(23)22-33-17-19-34(20-18-33)25-11-2-1-3-12-25/h1-7,9-14H,8,15-22H2,(H,30,35)(H,31,32)
InChIKeyMFWTYTNMGLELPL-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.52
Rot. Bonds9

About 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (PubChem CID 36554051) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
PubChem CID36554051
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC Name4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESO=C(CCCc1nc2ccccc2[nH]1)NCc1ccccc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H33N5O/c35-29(16-8-15-28-31-26-13-6-7-14-27(26)32-28)30-21-23-9-4-5-10-24(23)22-33-17-19-34(20-18-33)25-11-2-1-3-12-25/h1-7,9-14H,8,15-22H2,(H,30,35)(H,31,32)
InChIKeyMFWTYTNMGLELPL-UHFFFAOYSA-N
XLogP4.52
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 39173364
4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 36553152
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 36554280
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
4-(1,3-benzothiazol-2-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27887204
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 46461753
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
N-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75488771

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (CID 36554051) is 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is O=C(CCCc1nc2ccccc2[nH]1)NCc1ccccc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The InChIKey is MFWTYTNMGLELPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c35-29(16-8-15-28-31-26-13-6-7-14-27(26)32-28)30-21-23-9-4-5-10-24(23)22-33-17-19-34(20-18-33)25-11-2-1-3-12-25/h1-7,9-14H,8,15-22H2,(H,30,35)(H,31,32).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide has a molecular weight of 467.62 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 36554051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).