7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride

C16H26Cl2N4O — CID 119834811

IUPAC7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
SMILESCl.Cl.Cn1c(CNC(=O)CCCCCCN)nc2ccccc21
InChIInChI=1S/C16H24N4O.2ClH/c1-20-14-9-6-5-8-13(14)19-15(20)12-18-16(21)10-4-2-3-7-11-17;;/h5-6,8-9H,2-4,7,10-12,17H2,1H3,(H,18,21);2*1H
InChIKeyUDIHNAOYNZQALE-UHFFFAOYSA-N
MW361.32 g/mol
LogP2.94
Rot. Bonds8

About 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride

7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride (PubChem CID 119834811) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
PubChem CID119834811
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC Name7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride
SMILESCl.Cl.Cn1c(CNC(=O)CCCCCCN)nc2ccccc21
InChIInChI=1S/C16H24N4O.2ClH/c1-20-14-9-6-5-8-13(14)19-15(20)12-18-16(21)10-4-2-3-7-11-17;;/h5-6,8-9H,2-4,7,10-12,17H2,1H3,(H,18,21);2*1H
InChIKeyUDIHNAOYNZQALE-UHFFFAOYSA-N
XLogP2.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-5-(3-methylphenoxy)pentanamide
CID 60584238
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
7-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]heptanamide
CID 119866274
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 60528463
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 51510547
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride (CID 119834811) is 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride is Cl.Cl.Cn1c(CNC(=O)CCCCCCN)nc2ccccc21.
What is the InChIKey of 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride?
The InChIKey is UDIHNAOYNZQALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.2ClH/c1-20-14-9-6-5-8-13(14)19-15(20)12-18-16(21)10-4-2-3-7-11-17;;/h5-6,8-9H,2-4,7,10-12,17H2,1H3,(H,18,21);2*1H.
What are the key properties of 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride?
7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride has a molecular weight of 361.32 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(1-methylbenzimidazol-2-yl)methyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119834811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).