2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride

C16H23Cl2FN4O — CID 119883563

IUPAC2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)CNCC2CC2)nc2ccc(F)cc21
InChIInChI=1S/C16H21FN4O.2ClH/c1-21-14-8-12(17)4-5-13(14)20-15(21)6-7-19-16(22)10-18-9-11-2-3-11;;/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22);2*1H
InChIKeyNOTSCMMODUQVQZ-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.21
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride (PubChem CID 119883563) has the molecular formula C16H23Cl2FN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
PubChem CID119883563
Molecular FormulaC16H23Cl2FN4O
Molecular Weight377.29 g/mol
Exact Mass376.12
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCl.Cl.Cn1c(CCNC(=O)CNCC2CC2)nc2ccc(F)cc21
InChIInChI=1S/C16H21FN4O.2ClH/c1-21-14-8-12(17)4-5-13(14)20-15(21)6-7-19-16(22)10-18-9-11-2-3-11;;/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22);2*1H
InChIKeyNOTSCMMODUQVQZ-UHFFFAOYSA-N
XLogP2.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
(2R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119883529
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119882386
2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 56804714
(2R,3R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492650
(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119883594
tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate
CID 123697961
3-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882360
(2R,3S)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120941579
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride (CID 119883563) is 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride is Cl.Cl.Cn1c(CCNC(=O)CNCC2CC2)nc2ccc(F)cc21.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is NOTSCMMODUQVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O.2ClH/c1-21-14-8-12(17)4-5-13(14)20-15(21)6-7-19-16(22)10-18-9-11-2-3-11;;/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 377.29 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119883563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).