N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide

C24H31N5O2 — CID 78888251

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NC(c2nc3ccccc3[nH]2)C(C)C)CC1
InChIInChI=1S/C24H31N5O2/c1-4-31-21-12-8-7-11-20(21)28-13-15-29(16-14-28)24(30)27-22(17(2)3)23-25-18-9-5-6-10-19(18)26-23/h5-12,17,22H,4,13-16H2,1-3H3,(H,25,26)(H,27,30)
InChIKeySRKXTMMXAIRDOX-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.19
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 78888251) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID78888251
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NC(c2nc3ccccc3[nH]2)C(C)C)CC1
InChIInChI=1S/C24H31N5O2/c1-4-31-21-12-8-7-11-20(21)28-13-15-29(16-14-28)24(30)27-22(17(2)3)23-25-18-9-5-6-10-19(18)26-23/h5-12,17,22H,4,13-16H2,1-3H3,(H,25,26)(H,27,30)
InChIKeySRKXTMMXAIRDOX-UHFFFAOYSA-N
XLogP4.19
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 75489295
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 78888176
4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]butan-1-one
CID 9415491
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 55344804
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-fluorophenoxy)butanamide
CID 60550031
1-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(2-methylsulfonylethyl)urea
CID 124505879
1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(2-methylsulfonylethyl)urea
CID 122133776

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 78888251) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NC(c2nc3ccccc3[nH]2)C(C)C)CC1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is SRKXTMMXAIRDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-31-21-12-8-7-11-20(21)28-13-15-29(16-14-28)24(30)27-22(17(2)3)23-25-18-9-5-6-10-19(18)26-23/h5-12,17,22H,4,13-16H2,1-3H3,(H,25,26)(H,27,30).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 78888251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).