3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride

C14H22Cl2N4O — CID 119854046

IUPAC3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
SMILESCC(C)C(NC(=O)CCN)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C14H20N4O.2ClH/c1-9(2)13(18-12(19)7-8-15)14-16-10-5-3-4-6-11(10)17-14;;/h3-6,9,13H,7-8,15H2,1-2H3,(H,16,17)(H,18,19);2*1H
InChIKeyNIOIIEAXOQLXSD-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.57
Rot. Bonds5

About 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride

3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride (PubChem CID 119854046) has the molecular formula C14H22Cl2N4O and a molecular weight of 333.26 g/mol. Its IUPAC name is 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
PubChem CID119854046
Molecular FormulaC14H22Cl2N4O
Molecular Weight333.26 g/mol
Exact Mass332.12
IUPAC Name3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
SMILESCC(C)C(NC(=O)CCN)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C14H20N4O.2ClH/c1-9(2)13(18-12(19)7-8-15)14-16-10-5-3-4-6-11(10)17-14;;/h3-6,9,13H,7-8,15H2,1-2H3,(H,16,17)(H,18,19);2*1H
InChIKeyNIOIIEAXOQLXSD-UHFFFAOYSA-N
XLogP2.57
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-fluorophenoxy)butanamide
CID 60550031
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
CID 55595818
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-pyrazol-1-ylbutanamide
CID 71827916
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 9120351
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 120503082
N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7998445
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride (CID 119854046) is 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride is CC(C)C(NC(=O)CCN)c1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride?
The InChIKey is NIOIIEAXOQLXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.2ClH/c1-9(2)13(18-12(19)7-8-15)14-16-10-5-3-4-6-11(10)17-14;;/h3-6,9,13H,7-8,15H2,1-2H3,(H,16,17)(H,18,19);2*1H.
What are the key properties of 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride?
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride is sourced from PubChem (CID 119854046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).