3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

C27H30N4O2 — CID 60575678

IUPAC3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C27H30N4O2/c1-18(2)26(30-25(32)17-20-12-13-21-8-4-5-9-22(21)16-20)27(33)28-14-15-31-19(3)29-23-10-6-7-11-24(23)31/h4-13,16,18,26H,14-15,17H2,1-3H3,(H,28,33)(H,30,32)
InChIKeyFOICIORUNVIVHQ-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.00
Rot. Bonds8

About 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (PubChem CID 60575678) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
PubChem CID60575678
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C27H30N4O2/c1-18(2)26(30-25(32)17-20-12-13-21-8-4-5-9-22(21)16-20)27(33)28-14-15-31-19(3)29-23-10-6-7-11-24(23)31/h4-13,16,18,26H,14-15,17H2,1-3H3,(H,28,33)(H,30,32)
InChIKeyFOICIORUNVIVHQ-UHFFFAOYSA-N
XLogP4.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide with MolForge

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Related Compounds

(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 94649304
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137
3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60578734
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (CID 60575678) is 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is Cc1nc2ccccc2n1CCNC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The InChIKey is FOICIORUNVIVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-18(2)26(30-25(32)17-20-12-13-21-8-4-5-9-22(21)16-20)27(33)28-14-15-31-19(3)29-23-10-6-7-11-24(23)31/h4-13,16,18,26H,14-15,17H2,1-3H3,(H,28,33)(H,30,32).
What are the key properties of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide has a molecular weight of 442.56 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is sourced from PubChem (CID 60575678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).