N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine

C16H25N5 — CID 131963123

IUPACN-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine
SMILESCC(CCN1CCN(C)CC1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C16H25N5/c1-13(7-8-21-11-9-20(2)10-12-21)17-16-18-14-5-3-4-6-15(14)19-16/h3-6,13H,7-12H2,1-2H3,(H2,17,18,19)
InChIKeyJVEDCUQYTLIOJN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.00
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine

N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine (PubChem CID 131963123) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine
PubChem CID131963123
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine
SMILESCC(CCN1CCN(C)CC1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C16H25N5/c1-13(7-8-21-11-9-20(2)10-12-21)17-16-18-14-5-3-4-6-15(14)19-16/h3-6,13H,7-12H2,1-2H3,(H2,17,18,19)
InChIKeyJVEDCUQYTLIOJN-UHFFFAOYSA-N
XLogP2.00
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 65191883
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 106282981
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 118767536
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
CID 133410029
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
CID 60724163
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
(Z)-3-amino-N-(1H-benzimidazol-2-yl)-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfanylbut-2-enamide
CID 155619183
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine
CID 56782052

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine (CID 131963123) is N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine is CC(CCN1CCN(C)CC1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine?
The InChIKey is JVEDCUQYTLIOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-13(7-8-21-11-9-20(2)10-12-21)17-16-18-14-5-3-4-6-15(14)19-16/h3-6,13H,7-12H2,1-2H3,(H2,17,18,19).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine?
N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 131963123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).