N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide

C25H32N4O2 — CID 7998445

IUPACN-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
SMILESCC(C)[C@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H32N4O2/c1-16(2)22(23-27-19-8-6-7-9-20(19)28-23)29-21(30)14-15-26-24(31)17-10-12-18(13-11-17)25(3,4)5/h6-13,16,22H,14-15H2,1-5H3,(H,26,31)(H,27,28)(H,29,30)/t22-/m0/s1
InChIKeyUXDWKOHTZYDKSP-QFIPXVFZSA-N
MW420.56 g/mol
LogP4.49
Rot. Bonds7

About N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide

N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide (PubChem CID 7998445) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
PubChem CID7998445
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
SMILESCC(C)[C@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C25H32N4O2/c1-16(2)22(23-27-19-8-6-7-9-20(19)28-23)29-21(30)14-15-26-24(31)17-10-12-18(13-11-17)25(3,4)5/h6-13,16,22H,14-15H2,1-5H3,(H,26,31)(H,27,28)(H,29,30)/t22-/m0/s1
InChIKeyUXDWKOHTZYDKSP-QFIPXVFZSA-N
XLogP4.49
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184324
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide
CID 3484106
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-[(carbamoylamino)methyl]benzamide
CID 78781645
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-cyanobenzamide
CID 51158118
ethyl N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-oxopropyl]carbamate
CID 51087826
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-fluorophenoxy)butanamide
CID 60550031

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide (CID 7998445) is N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide is CC(C)[C@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide?
The InChIKey is UXDWKOHTZYDKSP-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-16(2)22(23-27-19-8-6-7-9-20(19)28-23)29-21(30)14-15-26-24(31)17-10-12-18(13-11-17)25(3,4)5/h6-13,16,22H,14-15H2,1-5H3,(H,26,31)(H,27,28)(H,29,30)/t22-/m0/s1.
What are the key properties of N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide?
N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide has a molecular weight of 420.56 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide is sourced from PubChem (CID 7998445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).