3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride

C16H26Cl2N4O — CID 120503091

IUPAC3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride
SMILESCCCCc1nc2ccc(NC(=O)C(C)C(C)N)cc2[nH]1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-4-5-6-15-19-13-8-7-12(9-14(13)20-15)18-16(21)10(2)11(3)17;;/h7-11H,4-6,17H2,1-3H3,(H,18,21)(H,19,20);2*1H
InChIKeyNEXLQULBMKQQRM-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.67
Rot. Bonds6

About 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride

3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride (PubChem CID 120503091) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride
PubChem CID120503091
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC Name3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride
SMILESCCCCc1nc2ccc(NC(=O)C(C)C(C)N)cc2[nH]1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-4-5-6-15-19-13-8-7-12(9-14(13)20-15)18-16(21)10(2)11(3)17;;/h7-11H,4-6,17H2,1-3H3,(H,18,21)(H,19,20);2*1H
InChIKeyNEXLQULBMKQQRM-UHFFFAOYSA-N
XLogP3.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 119854415
3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 120503219
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide
CID 142169464
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
N-(2-butyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 119854376
(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide
CID 126779606
2-butyl-3H-benzimidazol-5-amine
CID 23301932
N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide
CID 86860041
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride (CID 120503091) is 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride is CCCCc1nc2ccc(NC(=O)C(C)C(C)N)cc2[nH]1.Cl.Cl.
What is the InChIKey of 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride?
The InChIKey is NEXLQULBMKQQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.2ClH/c1-4-5-6-15-19-13-8-7-12(9-14(13)20-15)18-16(21)10(2)11(3)17;;/h7-11H,4-6,17H2,1-3H3,(H,18,21)(H,19,20);2*1H.
What are the key properties of 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride?
3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride has a molecular weight of 361.32 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).