2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride

C17H26Cl2N4O2 — CID 119860409

IUPAC2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-3-10(2)15(18)17(22)19-11-6-7-12-13(9-11)21-16(20-12)14-5-4-8-23-14;;/h6-7,9-10,14-15H,3-5,8,18H2,1-2H3,(H,19,22)(H,20,21);2*1H
InChIKeyDOGKFKUFWYXQGT-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.57
Rot. Bonds5

About 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride

2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride (PubChem CID 119860409) has the molecular formula C17H26Cl2N4O2 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
PubChem CID119860409
Molecular FormulaC17H26Cl2N4O2
Molecular Weight389.33 g/mol
Exact Mass388.14
IUPAC Name2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1.Cl.Cl
InChIInChI=1S/C17H24N4O2.2ClH/c1-3-10(2)15(18)17(22)19-11-6-7-12-13(9-11)21-16(20-12)14-5-4-8-23-14;;/h6-7,9-10,14-15H,3-5,8,18H2,1-2H3,(H,19,22)(H,20,21);2*1H
InChIKeyDOGKFKUFWYXQGT-UHFFFAOYSA-N
XLogP3.57
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 120669855
4-amino-3-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 120595805
(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide
CID 124506480
(2S)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-3-ylpropanamide
CID 95980969
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47825848
(2R,3S)-2-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939827

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride (CID 119860409) is 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride is CCC(C)C(N)C(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1.Cl.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride?
The InChIKey is DOGKFKUFWYXQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.2ClH/c1-3-10(2)15(18)17(22)19-11-6-7-12-13(9-11)21-16(20-12)14-5-4-8-23-14;;/h6-7,9-10,14-15H,3-5,8,18H2,1-2H3,(H,19,22)(H,20,21);2*1H.
What are the key properties of 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride?
2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride has a molecular weight of 389.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride is sourced from PubChem (CID 119860409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).