cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide

C22H24N4O2 — CID 56675407

IUPACcis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide
SMILESCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C22H24N4O2/c1-14(27)23-17-10-7-16(13-17)22(28)26(2)18-11-8-15(9-12-18)21-24-19-5-3-4-6-20(19)25-21/h3-6,8-9,11-12,16-17H,7,10,13H2,1-2H3,(H,23,27)(H,24,25)/t16-,17+/m1/s1
InChIKeySTBXNCZYNRFWFR-SJORKVTESA-N
MW376.46 g/mol
LogP3.50
Rot. Bonds4

About cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide

cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 56675407) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide
PubChem CID56675407
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Namecis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide
SMILESCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C22H24N4O2/c1-14(27)23-17-10-7-16(13-17)22(28)26(2)18-11-8-15(9-12-18)21-24-19-5-3-4-6-20(19)25-21/h3-6,8-9,11-12,16-17H,7,10,13H2,1-2H3,(H,23,27)(H,24,25)/t16-,17+/m1/s1
InChIKeySTBXNCZYNRFWFR-SJORKVTESA-N
XLogP3.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide (CID 56675407) is cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide is CC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1.
What is the InChIKey of cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is STBXNCZYNRFWFR-SJORKVTESA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(27)23-17-10-7-16(13-17)22(28)26(2)18-11-8-15(9-12-18)21-24-19-5-3-4-6-20(19)25-21/h3-6,8-9,11-12,16-17H,7,10,13H2,1-2H3,(H,23,27)(H,24,25)/t16-,17+/m1/s1.
What are the key properties of cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide?
cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-acetamido-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 56675407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).