trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide

C24H28N4O2 — CID 25105706

IUPACtrans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C24H28N4O2/c29-23(20-16-19(20)17-6-2-1-3-7-17)25-12-15-27-13-10-18(11-14-27)28-22-9-5-4-8-21(22)26-24(28)30/h1-9,18-20H,10-16H2,(H,25,29)(H,26,30)/t19-,20+/m0/s1
InChIKeyVPOAOMZJBPMBQS-VQTJNVASSA-N
MW404.51 g/mol
LogP2.89
Rot. Bonds6

About trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 25105706) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID25105706
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Nametrans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C24H28N4O2/c29-23(20-16-19(20)17-6-2-1-3-7-17)25-12-15-27-13-10-18(11-14-27)28-22-9-5-4-8-21(22)26-24(28)30/h1-9,18-20H,10-16H2,(H,25,29)(H,26,30)/t19-,20+/m0/s1
InChIKeyVPOAOMZJBPMBQS-VQTJNVASSA-N
XLogP2.89
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide (CID 25105706) is trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is VPOAOMZJBPMBQS-VQTJNVASSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-23(20-16-19(20)17-6-2-1-3-7-17)25-12-15-27-13-10-18(11-14-27)28-22-9-5-4-8-21(22)26-24(28)30/h1-9,18-20H,10-16H2,(H,25,29)(H,26,30)/t19-,20+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 25105706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).