N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide

C16H24N4O — CID 119866240

IUPACN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCCn1c(C(C)NC(=O)C(C)CNC)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-5-20-14-9-7-6-8-13(14)19-15(20)12(3)18-16(21)11(2)10-17-4/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)
InChIKeyMSHJMPBOKSWVCD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.09
Rot. Bonds6

About N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119866240) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119866240
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCCn1c(C(C)NC(=O)C(C)CNC)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-5-20-14-9-7-6-8-13(14)19-15(20)12(3)18-16(21)11(2)10-17-4/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)
InChIKeyMSHJMPBOKSWVCD-UHFFFAOYSA-N
XLogP2.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
(2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide
CID 95234012
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587001
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119866315
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide (CID 119866240) is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide is CCn1c(C(C)NC(=O)C(C)CNC)nc2ccccc21.
What is the InChIKey of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is MSHJMPBOKSWVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-20-14-9-7-6-8-13(14)19-15(20)12(3)18-16(21)11(2)10-17-4/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119866240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).