N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide

C30H35N5O — CID 54550389

IUPACN-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC(Nc2nc3ccccc3[nH]2)CC1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C30H35N5O/c1-34(29(36)24-12-6-3-7-13-24)22-25(23-10-4-2-5-11-23)16-19-35-20-17-26(18-21-35)31-30-32-27-14-8-9-15-28(27)33-30/h2-15,25-26H,16-22H2,1H3,(H2,31,32,33)
InChIKeyZJMBLITUJYVAJN-UHFFFAOYSA-N
MW481.64 g/mol
LogP5.39
Rot. Bonds9

About N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide

N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide (PubChem CID 54550389) has the molecular formula C30H35N5O and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide
PubChem CID54550389
Molecular FormulaC30H35N5O
Molecular Weight481.64 g/mol
Exact Mass481.28
IUPAC NameN-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide
SMILESCN(CC(CCN1CCC(Nc2nc3ccccc3[nH]2)CC1)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C30H35N5O/c1-34(29(36)24-12-6-3-7-13-24)22-25(23-10-4-2-5-11-23)16-19-35-20-17-26(18-21-35)31-30-32-27-14-8-9-15-28(27)33-30/h2-15,25-26H,16-22H2,1H3,(H2,31,32,33)
InChIKeyZJMBLITUJYVAJN-UHFFFAOYSA-N
XLogP5.39
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[[4-(2-ethoxyethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]-2-pyridin-4-ylbutyl]-N-methylbenzamide
CID 67591173
N-[2-(4-methoxyphenyl)-4-[4-[(4-prop-2-enyl-1H-benzimidazol-2-yl)amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 67589534
N-[2-(3,4-dichlorophenyl)-4-[4-[[4-(pyridin-4-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 67588894
N-[2-(4-fluorophenyl)-4-[4-[[1-(2-propoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 70109748
N-[2-(3,4-dichlorophenyl)-4-[4-[[4-(pyridin-3-ylmethyl)-1H-benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 67591274
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
3,4,5-trimethoxy-N-methyl-N-[2-phenyl-4-[4-[[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]benzamide
CID 54199111
N-[2-(3-chlorophenyl)-4-[4-[[1-(furan-3-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 54523197
3,4,5-trimethoxy-N-methyl-N-[4-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-2-phenylbutyl]benzamide
CID 54014353
N-[2-(1,3-benzodioxol-5-yl)-4-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 70110785
N-[2-(3,4-dimethoxyphenyl)-4-[4-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 54549510
N-[2-(2-benzyl-1,3-dioxol-4-yl)-4-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 70109569

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide?
The IUPAC name of N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide (CID 54550389) is N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide?
The canonical SMILES for N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide is CN(CC(CCN1CCC(Nc2nc3ccccc3[nH]2)CC1)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide?
The InChIKey is ZJMBLITUJYVAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O/c1-34(29(36)24-12-6-3-7-13-24)22-25(23-10-4-2-5-11-23)16-19-35-20-17-26(18-21-35)31-30-32-27-14-8-9-15-28(27)33-30/h2-15,25-26H,16-22H2,1H3,(H2,31,32,33).
What are the key properties of N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide?
N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide has a molecular weight of 481.64 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzamide is sourced from PubChem (CID 54550389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).