N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide

C19H28N4O2 — CID 84594730

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCC(C)C(NC1CCOCC1)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H28N4O2/c1-12(2)17(21-14-8-10-25-11-9-14)19(24)20-13(3)18-22-15-6-4-5-7-16(15)23-18/h4-7,12-14,17,21H,8-11H2,1-3H3,(H,20,24)(H,22,23)/t13-,17?/m0/s1
InChIKeyLSOZTCQXSJLKQW-CWQZNGJJSA-N
MW344.46 g/mol
LogP2.53
Rot. Bonds6

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide (PubChem CID 84594730) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide
PubChem CID84594730
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide
SMILESCC(C)C(NC1CCOCC1)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H28N4O2/c1-12(2)17(21-14-8-10-25-11-9-14)19(24)20-13(3)18-22-15-6-4-5-7-16(15)23-18/h4-7,12-14,17,21H,8-11H2,1-3H3,(H,20,24)(H,22,23)/t13-,17?/m0/s1
InChIKeyLSOZTCQXSJLKQW-CWQZNGJJSA-N
XLogP2.53
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 128839198
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 81449437
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]oxane-4-sulfonamide
CID 62669156
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide (CID 84594730) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide is CC(C)C(NC1CCOCC1)C(=O)N[C@@H](C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide?
The InChIKey is LSOZTCQXSJLKQW-CWQZNGJJSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12(2)17(21-14-8-10-25-11-9-14)19(24)20-13(3)18-22-15-6-4-5-7-16(15)23-18/h4-7,12-14,17,21H,8-11H2,1-3H3,(H,20,24)(H,22,23)/t13-,17?/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide has a molecular weight of 344.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-2-(oxan-4-ylamino)butanamide is sourced from PubChem (CID 84594730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).