N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide

C19H22N4O — CID 91648936

IUPACN-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C19H22N4O/c1-15-21-17-8-3-4-9-18(17)23(15)14-11-19(24)22(2)13-10-16-7-5-6-12-20-16/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyOOHOVXAQHGWBTJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.83
Rot. Bonds6

About N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide

N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 91648936) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID91648936
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)N(C)CCc1ccccn1
InChIInChI=1S/C19H22N4O/c1-15-21-17-8-3-4-9-18(17)23(15)14-11-19(24)22(2)13-10-16-7-5-6-12-20-16/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyOOHOVXAQHGWBTJ-UHFFFAOYSA-N
XLogP2.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 134008720
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211
3-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309212
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 43290786
2-methyl-N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]benzamide
CID 134008685
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-phenyl-3-pyridin-2-ylpropanamide
CID 110630505
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 53174667

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 91648936) is N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide is Cc1nc2ccccc2n1CCC(=O)N(C)CCc1ccccn1.
What is the InChIKey of N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is OOHOVXAQHGWBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-21-17-8-3-4-9-18(17)23(15)14-11-19(24)22(2)13-10-16-7-5-6-12-20-16/h3-9,12H,10-11,13-14H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide?
N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 91648936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).