(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

C19H31N5 — CID 95224011

IUPAC(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCc1ccc2[nH]c(CCN[C@H](C)CN3CCN(C)CC3)nc2c1C
InChIInChI=1S/C19H31N5/c1-14-5-6-17-19(16(14)3)22-18(21-17)7-8-20-15(2)13-24-11-9-23(4)10-12-24/h5-6,15,20H,7-13H2,1-4H3,(H,21,22)/t15-/m1/s1
InChIKeyAFZMSOFNWZDQHJ-OAHLLOKOSA-N
MW329.49 g/mol
LogP1.95
Rot. Bonds6

About (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 95224011) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID95224011
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCc1ccc2[nH]c(CCN[C@H](C)CN3CCN(C)CC3)nc2c1C
InChIInChI=1S/C19H31N5/c1-14-5-6-17-19(16(14)3)22-18(21-17)7-8-20-15(2)13-24-11-9-23(4)10-12-24/h5-6,15,20H,7-13H2,1-4H3,(H,21,22)/t15-/m1/s1
InChIKeyAFZMSOFNWZDQHJ-OAHLLOKOSA-N
XLogP1.95
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 95224011) is (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is Cc1ccc2[nH]c(CCN[C@H](C)CN3CCN(C)CC3)nc2c1C.
What is the InChIKey of (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is AFZMSOFNWZDQHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31N5/c1-14-5-6-17-19(16(14)3)22-18(21-17)7-8-20-15(2)13-24-11-9-23(4)10-12-24/h5-6,15,20H,7-13H2,1-4H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
(2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 329.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 95224011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).