4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride

C14H22Cl2N4O — CID 120564313

IUPAC4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCc1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C14H20N4O.2ClH/c1-10(15)6-7-14(19)16-9-8-13-17-11-4-2-3-5-12(11)18-13;;/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,18);2*1H
InChIKeyBDOZQVYQLAFYCU-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.19
Rot. Bonds6

About 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride

4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride (PubChem CID 120564313) has the molecular formula C14H22Cl2N4O and a molecular weight of 333.26 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
PubChem CID120564313
Molecular FormulaC14H22Cl2N4O
Molecular Weight333.26 g/mol
Exact Mass332.12
IUPAC Name4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCCc1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C14H20N4O.2ClH/c1-10(15)6-7-14(19)16-9-8-13-17-11-4-2-3-5-12(11)18-13;;/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,18);2*1H
InChIKeyBDOZQVYQLAFYCU-UHFFFAOYSA-N
XLogP2.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119835102
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride (CID 120564313) is 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCCc1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride?
The InChIKey is BDOZQVYQLAFYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.2ClH/c1-10(15)6-7-14(19)16-9-8-13-17-11-4-2-3-5-12(11)18-13;;/h2-5,10H,6-9,15H2,1H3,(H,16,19)(H,17,18);2*1H.
What are the key properties of 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride?
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).