N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane

C21H31BrN4O2 — CID 144647327

IUPACN-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane
SMILESCC.CC(CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)C1CC1
InChIInChI=1S/C19H25BrN4O2.C2H6/c1-12(21-18(25)13-2-3-13)11-23-8-6-15(7-9-23)24-17-5-4-14(20)10-16(17)22-19(24)26;1-2/h4-5,10,12-13,15H,2-3,6-9,11H2,1H3,(H,21,25)(H,22,26);1-2H3
InChIKeyOEFKRJHDNVMZSV-UHFFFAOYSA-N
MW451.41 g/mol
LogP3.67
Rot. Bonds5

About N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane

N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane (PubChem CID 144647327) has the molecular formula C21H31BrN4O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane.

Molecular Properties

Compound NameN-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane
PubChem CID144647327
Molecular FormulaC21H31BrN4O2
Molecular Weight451.41 g/mol
Exact Mass450.16
IUPAC NameN-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane
SMILESCC.CC(CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)C1CC1
InChIInChI=1S/C19H25BrN4O2.C2H6/c1-12(21-18(25)13-2-3-13)11-23-8-6-15(7-9-23)24-17-5-4-14(20)10-16(17)22-19(24)26;1-2/h4-5,10,12-13,15H,2-3,6-9,11H2,1H3,(H,21,25)(H,22,26);1-2H3
InChIKeyOEFKRJHDNVMZSV-UHFFFAOYSA-N
XLogP3.67
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-[1-[(2R)-2-methyl-4-naphthalen-2-yl-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 158668176
trans-(1R,2R)-N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 44573119
4-chloro-N-[(2S)-1-[4-(5-iodo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 53469896
N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1H-indole-2-carboxamide
CID 53470148
N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
CID 25105713
trans-(1S,2S)-N-[(2S)-1-[4-[2-oxo-5-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-1-yl]piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53469930
5-fluoro-N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1H-indole-2-carboxamide
CID 53470150
N-[(2S)-1-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
CID 44573132
6-bromo-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
CID 117207172
N-[2-oxo-1-(1-propan-2-ylpiperidin-4-yl)-3H-benzimidazol-5-yl]acetamide
CID 58885028
N-[1-[4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 75074771
6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172967762

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane?
The IUPAC name of N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane (CID 144647327) is N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane.
What is the SMILES notation for N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane?
The canonical SMILES for N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane is CC.CC(CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)C1CC1.
What is the InChIKey of N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane?
The InChIKey is OEFKRJHDNVMZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4O2.C2H6/c1-12(21-18(25)13-2-3-13)11-23-8-6-15(7-9-23)24-17-5-4-14(20)10-16(17)22-19(24)26;1-2/h4-5,10,12-13,15H,2-3,6-9,11H2,1H3,(H,21,25)(H,22,26);1-2H3.
What are the key properties of N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane?
N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane has a molecular weight of 451.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]cyclopropanecarboxamide;ethane is sourced from PubChem (CID 144647327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).