2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide

C20H23N3O — CID 37210944

IUPAC2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C20H23N3O/c1-15-22-17-11-7-8-12-18(17)23(15)14-13-21-19(24)20(2,3)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,21,24)
InChIKeySEHVRWGUDAEZKX-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.44
Rot. Bonds5

About 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide

2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide (PubChem CID 37210944) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
PubChem CID37210944
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C20H23N3O/c1-15-22-17-11-7-8-12-18(17)23(15)14-13-21-19(24)20(2,3)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,21,24)
InChIKeySEHVRWGUDAEZKX-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-(3-tert-butylphenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775677
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide (CID 37210944) is 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide is Cc1nc2ccccc2n1CCNC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide?
The InChIKey is SEHVRWGUDAEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-22-17-11-7-8-12-18(17)23(15)14-13-21-19(24)20(2,3)16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide?
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide has a molecular weight of 321.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 37210944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).