1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine

C12H14FN3 — CID 60785108

IUPAC1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C12H14FN3/c1-14-7-11-15-12-9(13)3-2-4-10(12)16(11)8-5-6-8/h2-4,8,14H,5-7H2,1H3
InChIKeyKSSLSJURPUUBBQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.23
Rot. Bonds3

About 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine

1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine (PubChem CID 60785108) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine
PubChem CID60785108
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C12H14FN3/c1-14-7-11-15-12-9(13)3-2-4-10(12)16(11)8-5-6-8/h2-4,8,14H,5-7H2,1H3
InChIKeyKSSLSJURPUUBBQ-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclopropyl-4-fluorobenzimidazol-2-yl)methanol
CID 63756402
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 60788770
2-[(1-cyclopropyl-4-fluorobenzimidazol-2-yl)methoxy]ethanamine
CID 79456560
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylpropan-2-amine
CID 62818968
2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole
CID 84796157
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 61222380
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-ethylpropan-1-amine
CID 55123251
3-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
CID 65261178
2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole
CID 64921459
2-bromo-1-cyclobutyl-4-fluorobenzimidazole
CID 84808519

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine (CID 60785108) is 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine is CNCc1nc2c(F)cccc2n1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine?
The InChIKey is KSSLSJURPUUBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-14-7-11-15-12-9(13)3-2-4-10(12)16(11)8-5-6-8/h2-4,8,14H,5-7H2,1H3.
What are the key properties of 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine?
1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 60785108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).