2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride

C20H26Cl2N4O — CID 119863897

IUPAC2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NC(c1ccccc1)c1nc2ccccc2n1C.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-3-9-15(21)20(25)23-18(14-10-5-4-6-11-14)19-22-16-12-7-8-13-17(16)24(19)2;;/h4-8,10-13,15,18H,3,9,21H2,1-2H3,(H,23,25);2*1H
InChIKeyJWCKUBGUYIFXAS-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.75
Rot. Bonds6

About 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride

2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride (PubChem CID 119863897) has the molecular formula C20H26Cl2N4O and a molecular weight of 409.36 g/mol. Its IUPAC name is 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
PubChem CID119863897
Molecular FormulaC20H26Cl2N4O
Molecular Weight409.36 g/mol
Exact Mass408.15
IUPAC Name2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NC(c1ccccc1)c1nc2ccccc2n1C.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-3-9-15(21)20(25)23-18(14-10-5-4-6-11-14)19-22-16-12-7-8-13-17(16)24(19)2;;/h4-8,10-13,15,18H,3,9,21H2,1-2H3,(H,23,25);2*1H
InChIKeyJWCKUBGUYIFXAS-UHFFFAOYSA-N
XLogP3.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
CID 56540206
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
CID 60588886

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride (CID 119863897) is 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride is CCCC(N)C(=O)NC(c1ccccc1)c1nc2ccccc2n1C.Cl.Cl.
What is the InChIKey of 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride?
The InChIKey is JWCKUBGUYIFXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.2ClH/c1-3-9-15(21)20(25)23-18(14-10-5-4-6-11-14)19-22-16-12-7-8-13-17(16)24(19)2;;/h4-8,10-13,15,18H,3,9,21H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride?
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride has a molecular weight of 409.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119863897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).