N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide

C21H26N4O2 — CID 60571275

IUPACN-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(C)C(C)c2ccncc2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-4-14-24-18-7-5-6-8-19(18)25(21(24)27)15-11-20(26)23(3)16(2)17-9-12-22-13-10-17/h5-10,12-13,16H,4,11,14-15H2,1-3H3
InChIKeyKHRXCRPYKAVDOJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.22
Rot. Bonds7

About N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide

N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 60571275) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID60571275
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(C)C(C)c2ccncc2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-4-14-24-18-7-5-6-8-19(18)25(21(24)27)15-11-20(26)23(3)16(2)17-9-12-22-13-10-17/h5-10,12-13,16H,4,11,14-15H2,1-3H3
InChIKeyKHRXCRPYKAVDOJ-UHFFFAOYSA-N
XLogP3.22
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
CID 42896336
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
N-[3-[1-[methyl-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
CID 46688043
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 134008720
N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 94347341
N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 86829861
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
N-methyl-4-phenylmethoxy-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 94347343
1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
1-(4-oxohexyl)-3-propylbenzimidazol-2-one
CID 106801721
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38661995

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide (CID 60571275) is N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide is CCCn1c(=O)n(CCC(=O)N(C)C(C)c2ccncc2)c2ccccc21.
What is the InChIKey of N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is KHRXCRPYKAVDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-14-24-18-7-5-6-8-19(18)25(21(24)27)15-11-20(26)23(3)16(2)17-9-12-22-13-10-17/h5-10,12-13,16H,4,11,14-15H2,1-3H3.
What are the key properties of N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide?
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 60571275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).