2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride

C14H19Cl2FN4O — CID 119885380

IUPAC2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H17FN4O.2ClH/c15-10-3-4-11-12(5-10)19-13(18-11)7-17-14(20)8-16-6-9-1-2-9;;/h3-5,9,16H,1-2,6-8H2,(H,17,20)(H,18,19);2*1H
InChIKeyWJKBOMGUJJYWQR-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.16
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride (PubChem CID 119885380) has the molecular formula C14H19Cl2FN4O and a molecular weight of 349.24 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
PubChem CID119885380
Molecular FormulaC14H19Cl2FN4O
Molecular Weight349.24 g/mol
Exact Mass348.09
IUPAC Name2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C14H17FN4O.2ClH/c15-10-3-4-11-12(5-10)19-13(18-11)7-17-14(20)8-16-6-9-1-2-9;;/h3-5,9,16H,1-2,6-8H2,(H,17,20)(H,18,19);2*1H
InChIKeyWJKBOMGUJJYWQR-UHFFFAOYSA-N
XLogP2.16
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119885398
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119885358
cis-(1S,3R)-3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 122564449
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119885363
(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081687
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 86283839
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide
CID 77083004
(9S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125165083

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride (CID 119885380) is 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)NCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride?
The InChIKey is WJKBOMGUJJYWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O.2ClH/c15-10-3-4-11-12(5-10)19-13(18-11)7-17-14(20)8-16-6-9-1-2-9;;/h3-5,9,16H,1-2,6-8H2,(H,17,20)(H,18,19);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride has a molecular weight of 349.24 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119885380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).