4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride

C17H28Cl2N4O2 — CID 120594898

IUPAC4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC(CC(C)C)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-11(2)8-15(19-16(22)9-12(10-18)23-3)17-20-13-6-4-5-7-14(13)21-17;;/h4-7,11-12,15H,8-10,18H2,1-3H3,(H,19,22)(H,20,21);2*1H
InChIKeyBFWZCZNGYIUPDY-UHFFFAOYSA-N
MW391.34 g/mol
LogP2.97
Rot. Bonds8

About 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride

4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120594898) has the molecular formula C17H28Cl2N4O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120594898
Molecular FormulaC17H28Cl2N4O2
Molecular Weight391.34 g/mol
Exact Mass390.16
IUPAC Name4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NC(CC(C)C)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-11(2)8-15(19-16(22)9-12(10-18)23-3)17-20-13-6-4-5-7-14(13)21-17;;/h4-7,11-12,15H,8-10,18H2,1-3H3,(H,19,22)(H,20,21);2*1H
InChIKeyBFWZCZNGYIUPDY-UHFFFAOYSA-N
XLogP2.97
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(4-methoxyphenyl)propanamide
CID 91638824
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119836776
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
CID 119836762
N-[2-[[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 40790316
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40939197
2-(2-aminoethyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640550
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide
CID 112798359
(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride (CID 120594898) is 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride is COC(CN)CC(=O)NC(CC(C)C)c1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is BFWZCZNGYIUPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.2ClH/c1-11(2)8-15(19-16(22)9-12(10-18)23-3)17-20-13-6-4-5-7-14(13)21-17;;/h4-7,11-12,15H,8-10,18H2,1-3H3,(H,19,22)(H,20,21);2*1H.
What are the key properties of 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 391.34 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120594898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).